| Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
| 101 |
VLA-UNK-f702bf1c-5
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCC(=O)NC6 |
−9.4
± 0.2
|
6.9
± 0.1
|
| 102 |
EDJ-MED-fed7ac0b-4
|
|
CNC(=O)CN1CC2(C=NN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.4
± 0.2
|
6.8
± 0.1
|
| 103 |
MAT-POS-50a80394-1
|
|
CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−9.4
± 0.3
|
6.8
± 0.2
|
| 104 |
EDJ-MED-cc48ee33-7
|
|
Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.4
± 0.2
|
6.8
± 0.2
|
| 105 |
EDJ-MED-5cd3920d-3
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl |
−9.3
± 0.2
|
6.8
± 0.2
|
| 106 |
BRU-THA-55eab31a-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CCNc5c4cc(cc5)Cl)C=N3 |
−9.3
± 0.1
|
6.81
± 0.09
|
| 107 |
EDJ-MED-98c0a822-4
|
|
CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.3
± 0.2
|
6.8
± 0.1
|
| 108 |
VLA-UNK-f702bf1c-8
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6nc[nH]n6 |
−9.3
± 0.3
|
6.8
± 0.2
|
| 109 |
MAT-POS-853c0ffa-10
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC |
−9.3
± 0.4
|
6.8
± 0.3
|
| 110 |
ALP-POS-ecbed2ba-20
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)N6CCC6 |
−9.2
± 0.6
|
6.7
± 0.4
|
| 111 |
EDJ-MED-b6c6ee2b-1
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl |
−9.2
± 0.3
|
6.7
± 0.3
|
| 112 |
PET-UNK-14142a25-1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.2
± 0.3
|
6.7
± 0.2
|
| 113 |
LUO-POS-b5068a05-2
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)N=C3NC#N |
−9.2
± 0.3
|
6.7
± 0.2
|
| 114 |
EDJ-MED-b6c6ee2b-3
|
|
COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.2
± 0.4
|
6.7
± 0.3
|
| 115 |
LUO-POS-868e8996-11
|
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.2
± 0.2
|
6.7
± 0.1
|
| 116 |
VLA-UNK-f702bf1c-4
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CC(=O)NC6 |
−9.1
± 0.2
|
6.6
± 0.1
|
| 117 |
PET-UNK-7e9559de-1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 |
−9.1
± 0.2
|
6.6
± 0.1
|
| 118 |
ALP-POS-ecbed2ba-17
|
|
CN(CC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.1
± 0.5
|
6.6
± 0.3
|
| 119 |
VLA-UNK-f702bf1c-7
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCN6CCNCC6 |
−9.1
± 0.3
|
6.6
± 0.2
|
| 120 |
MAT-POS-94643566-1
|
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl |
−9.09
± 0.05
|
6.62
± 0.03
|
| 121 |
VLA-UCB-50c39ae8-2
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−9.07
± 0.04
|
6.61
± 0.03
|
| 122 |
BEN-BAS-c2bc0d80-6
|
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl |
−9.07
± 0.05
|
6.61
± 0.03
|
| 123 |
EDJ-MED-b6c6ee2b-6
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl |
−9.1
± 0.2
|
6.6
± 0.1
|
| 124 |
ALP-POS-ecbed2ba-2
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCS(=O)(=O)CC6)C#N |
−9.0
± 0.4
|
6.6
± 0.3
|
| 125 |
VLA-UNK-56836b69-2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O |
−9.0
± 0.1
|
6.57
± 0.10
|
| 126 |
VLA-UCB-05e51b3f-5
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CCOc5c4cc(cc5)Cl |
−9.02
± 0.05
|
6.57
± 0.04
|
| 127 |
MAT-POS-b4d6b7fc-6
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−9.0
± 0.3
|
6.6
± 0.2
|
| 128 |
VLA-UNK-3a43cd95-3
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl |
−9.0
± 0.1
|
6.53
± 0.07
|
| 129 |
PET-UNK-94036022-7
|
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−9.0
± 0.4
|
6.5
± 0.3
|
| 130 |
EDJ-MED-98c0a822-2
|
|
CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−8.9
± 0.2
|
6.5
± 0.2
|
| 131 |
VLA-UNK-f702bf1c-3
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6nc[nH]n6 |
−8.9
± 0.2
|
6.5
± 0.1
|
| 132 |
MAT-POS-1bed62cf-3
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−8.8
± 0.3
|
6.4
± 0.2
|
| 133 |
EDJ-MED-94fddcec-7
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.8
± 0.3
|
6.4
± 0.2
|
| 134 |
VLA-UCB-34f3ed0c-15
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CN6CCNCC6 |
−8.8
± 0.4
|
6.4
± 0.3
|
| 135 |
MAT-POS-853c0ffa-13
|
|
c1cc2cncc(c2cc1F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.8
± 0.4
|
6.4
± 0.3
|
| 136 |
MAT-POS-ec6d90b7-2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)OC3=O |
−8.77
± 0.08
|
6.39
± 0.06
|
| 137 |
EDJ-MED-d4864bdc-4
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.7
± 0.3
|
6.4
± 0.2
|
| 138 |
MAT-POS-b4d6b7fc-7
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl |
−8.7
± 0.3
|
6.3
± 0.2
|
| 139 |
EDJ-MED-fd8ed875-4
|
|
CNC(=O)C1(CC1)N2CC3(C=CN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.7
± 0.2
|
6.3
± 0.1
|
| 140 |
MAT-POS-50a80394-4
|
|
CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.7
± 0.2
|
6.3
± 0.2
|
| 141 |
EDJ-MED-ede5c6cb-1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.7
± 0.3
|
6.3
± 0.2
|
| 142 |
ALP-POS-ecbed2ba-16
|
|
CN(CCC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.7
± 0.4
|
6.3
± 0.3
|
| 143 |
EDJ-MED-ee81482e-4
|
|
c1cc2cncc(c2cc1OC3CCNCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−8.7
± 0.5
|
6.3
± 0.4
|
| 144 |
BRU-THA-73c97d88-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)C=N3 |
−8.63
± 0.09
|
6.29
± 0.07
|
| 145 |
LUO-POS-ed2cfb03-1
|
|
CN1CCN(CC1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.6
± 0.4
|
6.3
± 0.3
|
| 146 |
EDJ-MED-976a33d5-2
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl |
−8.6
± 0.2
|
6.3
± 0.1
|
| 147 |
VLA-MRT-a639d434-2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CN(Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−8.5
± 0.2
|
6.2
± 0.2
|
| 148 |
MAT-POS-50a80394-6
|
|
CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.5
± 0.3
|
6.2
± 0.2
|
| 149 |
BEN-BAS-c2bc0d80-7
|
|
CN1C(=O)N(C(=O)C12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5 |
−8.5
± 0.1
|
6.21
± 0.08
|
| 150 |
MAT-POS-ec6d90b7-1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)OC3=O |
−8.49
± 0.07
|
6.19
± 0.05
|
| 151 |
ALP-POS-ecbed2ba-13
|
|
CC(C)(CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
−8.5
± 0.5
|
6.2
± 0.4
|
| 152 |
PET-UNK-94036022-14
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−8.4
± 0.3
|
6.1
± 0.2
|
| 153 |
PET-UNK-7e9559de-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 |
−8.4
± 0.2
|
6.1
± 0.2
|
| 154 |
MAT-POS-853c0ffa-16
|
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−8.4
± 0.4
|
6.1
± 0.3
|
| 155 |
VLA-UNK-56836b69-3
|
|
CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(c(c3)Cl)Cl)c4cncc5c4cccc5 |
−8.4
± 0.1
|
6.1
± 0.1
|
| 156 |
EDJ-MED-b6c6ee2b-4
|
|
c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.4
± 0.5
|
6.1
± 0.3
|
| 157 |
MAT-POS-853c0ffa-19
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCN(C)C)Cl |
−8.4
± 0.4
|
6.1
± 0.3
|
| 158 |
MAT-POS-50a80394-5
|
|
CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−8.4
± 0.2
|
6.1
± 0.1
|
| 159 |
MAT-POS-853c0ffa-15
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.4
± 0.5
|
6.1
± 0.4
|
| 160 |
LUO-POS-868e8996-9
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.3
± 0.3
|
6.0
± 0.2
|
| 161 |
EDJ-MED-d7486dd1-1
|
|
Cc1cc(cc2c1c(cnc2)N3CCC4(C3)CCOc5c4cc(cc5)Cl)S(=O)(=O)C |
−8.3
± 0.1
|
6.0
± 0.1
|
| 162 |
MAT-POS-853c0ffa-17
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl |
−8.3
± 0.4
|
6.0
± 0.3
|
| 163 |
ALP-POS-ecbed2ba-21
|
|
CN(CCOC)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.3
± 0.4
|
6.0
± 0.3
|
| 164 |
MAT-POS-38eb6498-3
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl |
−8.3
± 0.3
|
6.0
± 0.3
|
| 165 |
PET-UNK-94036022-2
|
|
C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.2
± 0.4
|
6.0
± 0.3
|
| 166 |
LUO-POS-9931618f-2
|
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.2
± 0.2
|
6.0
± 0.2
|
| 167 |
ALP-POS-ecbed2ba-18
|
|
CCN(C)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.2
± 0.3
|
6.0
± 0.2
|
| 168 |
ALP-POS-ecbed2ba-8
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N |
−8.2
± 0.5
|
6.0
± 0.4
|
| 169 |
LUO-POS-868e8996-10
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.2
± 0.4
|
6.0
± 0.3
|
| 170 |
MIK-ENA-5d9157e9-2
|
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.2
± 0.4
|
6.0
± 0.3
|
| 171 |
ALP-POS-4483ae88-2
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−8.2
± 0.2
|
6.0
± 0.1
|
| 172 |
PET-UNK-94036022-11
|
|
C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl |
−8.2
± 0.3
|
6.0
± 0.3
|
| 173 |
VLA-MRT-8c78ee15-4
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(CN(Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−8.1
± 0.2
|
5.9
± 0.2
|
| 174 |
EDJ-MED-98c0a822-3
|
|
CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.1
± 0.3
|
5.9
± 0.2
|
| 175 |
JOH-MSK-1f2dff76-2
|
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−8.1
± 0.2
|
5.9
± 0.1
|
| 176 |
JOH-MSK-1f2dff76-1
|
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−8.1
± 0.3
|
5.9
± 0.2
|
| 177 |
EDJ-MED-ede5c6cb-2
|
|
c1cc2c(cc1NS(=O)(=O)C3CC3)cncc2N4CCC5(C4=O)CCS(=O)(=O)c6c5cc(cc6)Cl |
−8.1
± 0.3
|
5.9
± 0.2
|
| 178 |
EDJ-MED-468565e0-1
|
|
c1cc2cncc(c2cc1OCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−8.1
± 0.4
|
5.9
± 0.3
|
| 179 |
MAT-POS-c7726e07-6
|
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.1
± 0.2
|
5.9
± 0.2
|
| 180 |
MAT-POS-1bed62cf-1
|
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.1
± 0.4
|
5.9
± 0.3
|
| 181 |
EDJ-MED-8bb691af-6
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.1
± 0.4
|
5.9
± 0.3
|
| 182 |
LUO-POS-868e8996-12
|
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.1
± 0.2
|
5.9
± 0.2
|
| 183 |
MAT-POS-853c0ffa-8
|
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl |
−8.0
± 0.3
|
5.8
± 0.2
|
| 184 |
ALP-POS-ecbed2ba-12
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−8.0
± 0.3
|
5.8
± 0.2
|
| 185 |
LUO-POS-b4dec3be-1
|
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−8.0
± 0.3
|
5.8
± 0.2
|
| 186 |
VLA-UNK-56836b69-5
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CC(=O)Nc5c4cc(c(c5)Cl)Cl)NC3=O |
−8.0
± 0.1
|
5.8
± 0.1
|
| 187 |
EDJ-MED-d4864bdc-3
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.0
± 0.3
|
5.8
± 0.2
|
| 188 |
MAT-POS-853c0ffa-20
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)C(C)(C)O)Cl |
−8.0
± 0.4
|
5.8
± 0.3
|
| 189 |
MAT-POS-b4d6b7fc-5
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−8.0
± 0.3
|
5.8
± 0.2
|
| 190 |
EDJ-MED-ee81482e-5
|
|
c1cc2cncc(c2cc1CN3CC4(C3)COC4)N5CCC6(C5=O)CN(Cc7c6cc(cc7)Cl)S(=O)(=O)CC8(CC8)C#N |
−8.0
± 0.4
|
5.8
± 0.3
|
| 191 |
PET-UNK-94036022-10
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−7.9
± 0.3
|
5.8
± 0.2
|
| 192 |
MAT-POS-853c0ffa-11
|
|
CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O |
−7.9
± 0.4
|
5.8
± 0.3
|
| 193 |
MAT-POS-853c0ffa-5
|
|
c1cc2cncc(c2c(c1)Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.9
± 0.5
|
5.8
± 0.4
|
| 194 |
MAT-POS-38eb6498-5
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
−7.8
± 0.3
|
5.7
± 0.2
|
| 195 |
JOH-MSK-51c67e7d-2
|
|
CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.8
± 0.1
|
5.7
± 0.1
|
| 196 |
PET-UNK-94036022-12
|
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−7.8
± 0.3
|
5.7
± 0.2
|
| 197 |
ALP-POS-afe0272e-2
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl |
−7.8
± 0.2
|
5.7
± 0.2
|
| 198 |
PET-UNK-94036022-3
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−7.8
± 0.3
|
5.7
± 0.2
|
| 199 |
EDJ-MED-7587a9ee-1
|
|
CN1C(=O)N(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 |
−7.8
± 0.1
|
5.67
± 0.09
|
| 200 |
PET-UNK-94036022-9
|
|
C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.8
± 0.4
|
5.7
± 0.3
|