| Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
| 101 |
EDJ-MED-b6c6ee2b-7
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)F)c6cc(ccc6C2=O)Cl |
−7.7
± 0.2
|
5.6
± 0.1
|
| 102 |
EDJ-MED-fed7ac0b-1
|
|
CNC(=O)CN1CC2(CNN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.7
± 0.2
|
5.6
± 0.1
|
| 103 |
MAT-POS-38eb6498-6
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)C(=O)NC)c5cc(ccc5C1=O)Cl |
−7.7
± 0.2
|
5.6
± 0.1
|
| 104 |
PET-UNK-14142a25-10
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.7
± 0.1
|
5.61
± 0.10
|
| 105 |
MAT-POS-be048f2c-6
|
|
CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.7
± 0.2
|
5.6
± 0.1
|
| 106 |
EDJ-MED-dfa1d800-4
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCC(CC6)(F)F)c7cc(ccc7C2=O)Cl |
−7.7
± 0.3
|
5.6
± 0.2
|
| 107 |
EDJ-MED-468565e0-1
|
|
c1cc2cncc(c2cc1OCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−7.7
± 0.7
|
5.6
± 0.5
|
| 108 |
JOH-MSK-51c67e7d-1
|
|
CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.64
± 0.09
|
5.57
± 0.06
|
| 109 |
MAT-POS-40ad851a-3
|
|
CCN(CC)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.6
± 0.7
|
5.5
± 0.5
|
| 110 |
EDJ-MED-5cd3920d-2
|
|
c1cc2cncc(c2cc1C(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.6
± 0.3
|
5.5
± 0.2
|
| 111 |
EDJ-MED-cc48ee33-3
|
|
Cn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.6
± 0.2
|
5.5
± 0.1
|
| 112 |
PET-UNK-14142a25-1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.5
± 0.1
|
5.5
± 0.1
|
| 113 |
MAT-POS-38eb6498-4
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl |
−7.5
± 0.3
|
5.5
± 0.2
|
| 114 |
JOH-MSK-1f2dff76-3
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CNCc5c4cc(cc5)Cl |
−7.5
± 0.2
|
5.5
± 0.1
|
| 115 |
PET-UNK-aa57768f-3
|
|
C#CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.5
± 0.1
|
5.4
± 0.1
|
| 116 |
BEN-BAS-c2bc0d80-3
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)CN3 |
−7.46
± 0.10
|
5.44
± 0.07
|
| 117 |
ALP-POS-ecbed2ba-15
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N |
−7.4
± 0.4
|
5.4
± 0.3
|
| 118 |
EDJ-MED-9f4ac58c-7
|
|
COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)c6cc(ccc6C2=O)Cl |
−7.4
± 0.6
|
5.4
± 0.4
|
| 119 |
MAT-POS-853c0ffa-22
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−7.4
± 0.3
|
5.4
± 0.2
|
| 120 |
BRU-THA-73c97d88-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)C=N3 |
−7.41
± 0.09
|
5.40
± 0.07
|
| 121 |
DAR-DIA-6be260fc-5
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCNc5c4cc(cc5)Cl |
−7.37
± 0.10
|
5.37
± 0.07
|
| 122 |
PET-UNK-aa57768f-9
|
|
C#CCN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.3
± 0.2
|
5.3
± 0.1
|
| 123 |
LUO-POS-9931618f-1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.3
± 0.2
|
5.3
± 0.1
|
| 124 |
LUO-POS-8c3e556a-1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |
−7.3
± 0.2
|
5.3
± 0.1
|
| 125 |
EDG-MED-b1ef7fe3-2
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl |
−7.3
± 0.1
|
5.32
± 0.09
|
| 126 |
PET-UNK-94036022-3
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−7.3
± 0.3
|
5.3
± 0.2
|
| 127 |
LUO-POS-9931618f-2
|
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.3
± 0.1
|
5.3
± 0.1
|
| 128 |
EDJ-MED-fd8ed875-3
|
|
CNC(=O)CN1CC2(C=CN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.3
± 0.1
|
5.29
± 0.09
|
| 129 |
DAR-DIA-0f7b7cd9-8
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)C(=O)S3 |
−7.23
± 0.08
|
5.26
± 0.06
|
| 130 |
LUO-POS-d1147590-1
|
|
CN1CCC(CC1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−7.2
± 0.6
|
5.3
± 0.5
|
| 131 |
EDJ-MED-9f4ac58c-4
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.2
± 0.5
|
5.2
± 0.4
|
| 132 |
EDJ-MED-fed7ac0b-4
|
|
CNC(=O)CN1CC2(C=NN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.2
± 0.1
|
5.22
± 0.10
|
| 133 |
EDJ-MED-fd8ed875-4
|
|
CNC(=O)C1(CC1)N2CC3(C=CN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.1
± 0.1
|
5.2
± 0.1
|
| 134 |
EDJ-MED-ee81482e-4
|
|
c1cc2cncc(c2cc1OC3CCNCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−7.1
± 0.4
|
5.2
± 0.3
|
| 135 |
EDJ-MED-98c0a822-4
|
|
CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−7.1
± 0.2
|
5.2
± 0.1
|
| 136 |
MAT-POS-40ad851a-5
|
|
c1cc2cncc(c2cc1OCCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−7.1
± 0.5
|
5.2
± 0.3
|
| 137 |
MAT-POS-983b399a-1
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl |
−7.07
± 0.10
|
5.15
± 0.07
|
| 138 |
EDJ-MED-159244ea-1
|
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CCOc5c4cc(cc5)Cl |
−7.06
± 0.09
|
5.15
± 0.07
|
| 139 |
EDJ-MED-b6c6ee2b-6
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl |
−7.1
± 0.1
|
5.1
± 0.1
|
| 140 |
EDJ-MED-a12e3a20-2
|
|
CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=O)CN(C2=O)c4cncc5c4cccc5 |
−7.0
± 0.1
|
5.1
± 0.1
|
| 141 |
EDJ-MED-5cd3920d-4
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)C(F)F)c6cc(ccc6C2=O)Cl |
−6.9
± 0.2
|
5.1
± 0.2
|
| 142 |
MAT-POS-b4d6b7fc-7
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl |
−6.9
± 0.2
|
5.1
± 0.2
|
| 143 |
MAT-POS-853c0ffa-11
|
|
CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O |
−6.9
± 0.4
|
5.1
± 0.3
|
| 144 |
EDJ-MED-cc48ee33-7
|
|
Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−6.9
± 0.2
|
5.0
± 0.2
|
| 145 |
MAT-POS-50a80394-6
|
|
CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−6.9
± 0.2
|
5.0
± 0.1
|
| 146 |
MAT-POS-853c0ffa-10
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC |
−6.9
± 0.4
|
5.0
± 0.3
|
| 147 |
EDJ-MED-7587a9ee-3
|
|
CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.9
± 0.2
|
5.0
± 0.1
|
| 148 |
ALP-POS-ecbed2ba-19
|
|
CN(CCO)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.9
± 0.4
|
5.0
± 0.3
|
| 149 |
PET-UNK-aa57768f-8
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−6.9
± 0.1
|
5.01
± 0.08
|
| 150 |
EDJ-MED-468565e0-2
|
|
c1cc2cncc(c2cc1OCCN3CCOCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−6.8
± 0.6
|
5.0
± 0.4
|
| 151 |
EDJ-MED-fd8ed875-6
|
|
CNC(=O)C1(CC1)N2CC3(c4cc(ccc4C2=O)Cl)C(=CN(C3=O)c5cncc6c5cccc6)F |
−6.8
± 0.2
|
5.0
± 0.1
|
| 152 |
EDJ-MED-ee81482e-2
|
|
CN1CC(C1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−6.8
± 0.4
|
4.9
± 0.3
|
| 153 |
MAT-POS-1d5ab790-3
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl |
−6.8
± 0.1
|
4.93
± 0.09
|
| 154 |
ALP-POS-ecbed2ba-21
|
|
CN(CCOC)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.8
± 0.2
|
4.9
± 0.2
|
| 155 |
MAT-POS-853c0ffa-14
|
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl |
−6.8
± 0.3
|
4.9
± 0.2
|
| 156 |
LUO-POS-8484f2d3-1
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.8
± 0.5
|
4.9
± 0.3
|
| 157 |
EDJ-MED-976a33d5-1
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−6.7
± 0.2
|
4.9
± 0.1
|
| 158 |
MAT-POS-50a80394-5
|
|
CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−6.7
± 0.2
|
4.9
± 0.2
|
| 159 |
PET-UNK-94036022-2
|
|
C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.7
± 0.3
|
4.9
± 0.2
|
| 160 |
ALP-POS-477dc5b7-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl |
−6.7
± 0.1
|
4.87
± 0.10
|
| 161 |
EDJ-MED-8bb691af-6
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.7
± 0.3
|
4.9
± 0.2
|
| 162 |
EDJ-MED-9f4ac58c-1
|
|
c1cc2c(cc1Cl)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.7
± 0.4
|
4.9
± 0.3
|
| 163 |
EDJ-MED-5cd3920d-1
|
|
c1cc2cncc(c2cc1OC(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.6
± 0.3
|
4.8
± 0.2
|
| 164 |
EDG-MED-b1ef7fe3-3
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)F)c5cc(ccc5C1=O)Cl |
−6.6
± 0.2
|
4.8
± 0.1
|
| 165 |
ALP-POS-4483ae88-2
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−6.6
± 0.2
|
4.8
± 0.1
|
| 166 |
EDG-MED-b1ef7fe3-4
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)Cl)c5cc(ccc5C1=O)Cl |
−6.6
± 0.2
|
4.8
± 0.2
|
| 167 |
EDJ-MED-468565e0-4
|
|
c1cc2cncc(c2cc1OCCN3CCC(CC3)(F)F)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−6.5
± 0.7
|
4.8
± 0.5
|
| 168 |
MAT-POS-853c0ffa-21
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl |
−6.5
± 0.2
|
4.7
± 0.2
|
| 169 |
BRU-THA-55eab31a-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CCNc5c4cc(cc5)Cl)C=N3 |
−6.5
± 0.1
|
4.74
± 0.08
|
| 170 |
ALP-POS-ecbed2ba-9
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)N6CC(C6)C#N |
−6.4
± 0.5
|
4.7
± 0.4
|
| 171 |
MAT-POS-40ad851a-1
|
|
CN1CCCC1COc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−6.4
± 0.2
|
4.7
± 0.2
|
| 172 |
EDJ-MED-b6c6ee2b-3
|
|
COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.4
± 0.4
|
4.7
± 0.3
|
| 173 |
ALP-POS-ecbed2ba-1
|
|
CC1(CS(=O)(=O)C1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.4
± 0.6
|
4.7
± 0.5
|
| 174 |
PET-UNK-94036022-9
|
|
C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.4
± 0.3
|
4.6
± 0.2
|
| 175 |
PET-UNK-7e9559de-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 |
−6.3
± 0.2
|
4.6
± 0.1
|
| 176 |
MAT-POS-853c0ffa-13
|
|
c1cc2cncc(c2cc1F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.3
± 0.3
|
4.6
± 0.2
|
| 177 |
ALP-POS-afe0272e-2
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl |
−6.3
± 0.1
|
4.56
± 0.10
|
| 178 |
MAT-POS-69786b79-1
|
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.3
± 0.2
|
4.6
± 0.1
|
| 179 |
EDJ-MED-8bb691af-8
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−6.2
± 0.2
|
4.5
± 0.1
|
| 180 |
EDJ-MED-ee81482e-5
|
|
c1cc2cncc(c2cc1CN3CC4(C3)COC4)N5CCC6(C5=O)CN(Cc7c6cc(cc7)Cl)S(=O)(=O)CC8(CC8)C#N |
−6.2
± 0.4
|
4.5
± 0.3
|
| 181 |
MAT-POS-96396902-1
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 |
−6.2
± 0.2
|
4.5
± 0.1
|
| 182 |
ALP-POS-ecbed2ba-3
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.2
± 0.2
|
4.5
± 0.2
|
| 183 |
MAT-POS-853c0ffa-1
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl |
−6.2
± 0.2
|
4.5
± 0.1
|
| 184 |
LUO-POS-ed2cfb03-2
|
|
CNS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.2
± 0.3
|
4.5
± 0.2
|
| 185 |
EDJ-MED-468565e0-3
|
|
c1cc2cncc(c2cc1OCCN3CCS(=O)(=O)CC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−6.2
± 0.4
|
4.5
± 0.3
|
| 186 |
EDJ-MED-7e491f08-1
|
|
c1ccc2c(c1)cncc2N3CC([C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)(F)F |
−6.1
± 0.4
|
4.5
± 0.3
|
| 187 |
MIK-ENA-5d9157e9-2
|
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.1
± 0.3
|
4.5
± 0.2
|
| 188 |
EDJ-MED-b6c6ee2b-4
|
|
c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.1
± 0.3
|
4.5
± 0.2
|
| 189 |
MAT-POS-853c0ffa-20
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)C(C)(C)O)Cl |
−6.1
± 0.3
|
4.4
± 0.2
|
| 190 |
ALP-POS-ecbed2ba-17
|
|
CN(CC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−6.1
± 0.2
|
4.4
± 0.1
|
| 191 |
LUO-POS-8484f2d3-2
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−6.1
± 0.5
|
4.4
± 0.4
|
| 192 |
MAT-POS-853c0ffa-18
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl |
−6.1
± 0.3
|
4.4
± 0.2
|
| 193 |
ALP-POS-ecbed2ba-22
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)CC#N |
−6.1
± 0.4
|
4.4
± 0.3
|
| 194 |
PET-UNK-aa57768f-2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−6.1
± 0.2
|
4.4
± 0.1
|
| 195 |
MAT-POS-853c0ffa-8
|
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl |
−6.0
± 0.3
|
4.4
± 0.2
|
| 196 |
EDJ-MED-fd8ed875-5
|
|
CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=CN(C2=O)c4cncc5c4cccc5)F |
−6.0
± 0.2
|
4.4
± 0.1
|
| 197 |
ALP-POS-ecbed2ba-6
|
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.0
± 0.4
|
4.4
± 0.3
|
| 198 |
MAT-POS-50a80394-4
|
|
CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−6.0
± 0.2
|
4.4
± 0.1
|
| 199 |
ALP-POS-ecbed2ba-2
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCS(=O)(=O)CC6)C#N |
−6.0
± 0.3
|
4.4
± 0.2
|
| 200 |
EDJ-MED-ee81482e-1
|
|
c1cc2cncc(c2cc1OC3CNC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−6.0
± 0.5
|
4.4
± 0.4
|