Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
101 |
LUO-POS-e1dab717-9
|
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−9.3
± 0.2
|
6.8
± 0.2
|
102 |
EDJ-MED-976a33d5-2
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl |
−9.3
± 0.1
|
6.77
± 0.09
|
103 |
MAT-POS-853c0ffa-22
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−9.2
± 0.1
|
6.73
± 0.10
|
104 |
ALP-POS-c3a90b22-2
|
|
CNC(=O)C1(CCC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.2
± 0.3
|
6.7
± 0.2
|
105 |
EDJ-MED-6b23330e-2
|
|
CC(C)(C)CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.2
± 0.2
|
6.7
± 0.1
|
106 |
PET-UNK-aa57768f-3
|
|
C#CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.2
± 0.3
|
6.7
± 0.2
|
107 |
MAT-POS-1bed62cf-1
|
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.2
± 0.1
|
6.70
± 0.10
|
108 |
LUO-POS-e1dab717-10
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl |
−9.2
± 0.1
|
6.68
± 0.09
|
109 |
MAT-POS-e75f6e44-18
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−9.1
± 0.4
|
6.7
± 0.3
|
110 |
ALP-POS-c3a90b22-3
|
|
CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.1
± 0.3
|
6.6
± 0.2
|
111 |
MAT-POS-1d5ab790-2
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−9.1
± 0.2
|
6.6
± 0.1
|
112 |
VLA-UNK-61877630-4
|
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5C1=O)F)Cl |
−9.1
± 0.3
|
6.6
± 0.2
|
113 |
MAT-POS-e75f6e44-4
|
|
CC1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.1
± 0.1
|
6.63
± 0.10
|
114 |
EDJ-MED-cc48ee33-3
|
|
Cn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.1
± 0.4
|
6.6
± 0.3
|
115 |
LUO-POS-868e8996-8
|
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.1
± 0.1
|
6.60
± 0.09
|
116 |
MAT-POS-1bed62cf-2
|
|
CNC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.1
± 0.1
|
6.60
± 0.09
|
117 |
MAT-POS-e75f6e44-19
|
|
CC1(CCC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.0
± 0.2
|
6.6
± 0.2
|
118 |
LUO-POS-9931618f-2
|
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.0
± 0.3
|
6.6
± 0.2
|
119 |
MAT-POS-b4d6b7fc-6
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−9.0
± 0.4
|
6.6
± 0.3
|
120 |
VLA-UNK-61877630-6
|
|
CNC(=O)CN1C([C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−9.0
± 0.3
|
6.6
± 0.2
|
121 |
MAT-POS-50a80394-4
|
|
CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.0
± 0.2
|
6.5
± 0.1
|
122 |
ALP-POS-c3a90b22-1
|
|
CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.0
± 0.4
|
6.5
± 0.3
|
123 |
JOH-MSK-4bb3d434-1
|
|
COC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.0
± 0.3
|
6.5
± 0.2
|
124 |
MAT-POS-e75f6e44-21
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)(F)F |
−9.0
± 0.5
|
6.5
± 0.4
|
125 |
PET-UNK-aa57768f-2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−8.9
± 0.2
|
6.5
± 0.2
|
126 |
EDJ-MED-8bb691af-8
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.9
± 0.3
|
6.5
± 0.3
|
127 |
12_-111-3e02a1cd-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 |
−8.9
± 0.4
|
6.5
± 0.3
|
128 |
VLA-UNK-61877630-3
|
|
CNC(=O)CN1C([C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−8.9
± 0.2
|
6.5
± 0.2
|
129 |
EDJ-MED-33064c06-18
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−8.9
± 0.3
|
6.5
± 0.2
|
130 |
MAT-POS-e75f6e44-1
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O |
−8.9
± 0.2
|
6.5
± 0.2
|
131 |
EDJ-MED-33064c06-11
|
|
CNC(=O)C1(CCOCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.9
± 0.3
|
6.5
± 0.2
|
132 |
MIK-ENA-bb7b6957-1
|
|
COc1ccc2cncc(c2c1)N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.9
± 0.9
|
6.5
± 0.7
|
133 |
MAT-POS-576f7758-1
|
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.9
± 0.2
|
6.5
± 0.1
|
134 |
EDJ-MED-6b23330e-3
|
|
CC(C)(CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
−8.9
± 0.1
|
6.45
± 0.09
|
135 |
EDJ-MED-b6c6ee2b-5
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl |
−8.9
± 0.5
|
6.5
± 0.4
|
136 |
EDG-MED-b1ef7fe3-3
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)F)c5cc(ccc5C1=O)Cl |
−8.9
± 0.1
|
6.45
± 0.09
|
137 |
EDJ-MED-6b23330e-7
|
|
CC(C)(CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)N |
−8.8
± 0.2
|
6.4
± 0.1
|
138 |
EDJ-MED-9f4ac58c-6
|
|
COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.8
± 0.5
|
6.4
± 0.4
|
139 |
VLA-UNK-5d8210f0-2
|
|
CNC(=O)CN1Cc2cc(c(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F |
−8.8
± 0.3
|
6.4
± 0.2
|
140 |
PET-UNK-77d5678a-5
|
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 |
−8.8
± 0.3
|
6.4
± 0.2
|
141 |
ALP-POS-c3a90b22-10
|
|
CNC(=O)C1(CCOCC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.8
± 0.2
|
6.4
± 0.2
|
142 |
PET-UNK-77d5678a-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 |
−8.8
± 0.4
|
6.4
± 0.3
|
143 |
MAT-POS-be048f2c-6
|
|
CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.8
± 0.4
|
6.4
± 0.3
|
144 |
MIC-UNK-c85ea37c-3
|
|
CN(C)c1ccc(cc1)C2CN(C(=O)C23CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c6cncc7c6cccc7 |
−8.8
± 0.8
|
6.4
± 0.6
|
145 |
LUO-POS-e1dab717-3
|
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)Cl)Cl |
−8.7
± 0.2
|
6.4
± 0.1
|
146 |
MAT-POS-853c0ffa-16
|
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−8.7
± 0.1
|
6.36
± 0.10
|
147 |
EDG-MED-b1ef7fe3-4
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)Cl)c5cc(ccc5C1=O)Cl |
−8.7
± 0.1
|
6.33
± 0.09
|
148 |
VLA-UCB-50c39ae8-2
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−8.7
± 0.1
|
6.31
± 0.08
|
149 |
VLA-UNK-8e615992-1
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5C1=O)F)Cl |
−8.7
± 0.3
|
6.3
± 0.3
|
150 |
VLA-UNK-8e615992-4
|
|
CNC(=O)CN1C(C2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−8.7
± 0.2
|
6.3
± 0.2
|
151 |
MAT-POS-69786b79-2
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−8.7
± 0.2
|
6.3
± 0.1
|
152 |
MAT-POS-e75f6e44-8
|
|
C[C@@H](C1CC1)NC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.7
± 0.2
|
6.3
± 0.2
|
153 |
MAT-POS-e75f6e44-10
|
|
COC1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.6
± 0.1
|
6.28
± 0.09
|
154 |
EDJ-MED-33064c06-10
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)CO |
−8.6
± 0.3
|
6.3
± 0.2
|
155 |
MAT-POS-38eb6498-6
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)C(=O)NC)c5cc(ccc5C1=O)Cl |
−8.6
± 0.3
|
6.3
± 0.2
|
156 |
LUO-POS-e1dab717-7
|
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCN(C)C)Cl |
−8.6
± 0.7
|
6.3
± 0.5
|
157 |
EDJ-MED-6b23330e-4
|
|
CC(C)(CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)O |
−8.6
± 0.3
|
6.3
± 0.3
|
158 |
MAT-POS-50a80394-1
|
|
CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−8.6
± 0.7
|
6.2
± 0.5
|
159 |
PET-UNK-aa57768f-8
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−8.5
± 0.3
|
6.2
± 0.2
|
160 |
ALP-POS-afe0272e-1
|
|
CNC(=O)CN1Cc2cc(c(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)Cl |
−8.53
± 0.10
|
6.21
± 0.07
|
161 |
EDJ-MED-33064c06-13
|
|
CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.5
± 0.3
|
6.2
± 0.2
|
162 |
PET-UNK-6af7266d-4
|
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 |
−8.5
± 0.3
|
6.2
± 0.2
|
163 |
MAT-POS-566864e2-3
|
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.5
± 0.2
|
6.2
± 0.1
|
164 |
MAT-POS-853c0ffa-18
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl |
−8.5
± 0.8
|
6.2
± 0.6
|
165 |
MIK-ENA-60569a44-1
|
|
COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.5
± 0.8
|
6.2
± 0.6
|
166 |
MAT-POS-566864e2-4
|
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3[C@@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.4
± 0.2
|
6.1
± 0.1
|
167 |
MAT-POS-e75f6e44-3
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)CN |
−8.4
± 0.2
|
6.1
± 0.2
|
168 |
VLA-UNK-3bd6fc51-1
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(F)(F)Cl |
−8.4
± 0.2
|
6.1
± 0.1
|
169 |
VLA-UNK-5d8210f0-5
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1C(F)F)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.4
± 0.4
|
6.1
± 0.3
|
170 |
MAT-POS-e75f6e44-17
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−8.3
± 0.3
|
6.1
± 0.2
|
171 |
MAT-POS-e75f6e44-6
|
|
CNC1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.3
± 0.2
|
6.0
± 0.1
|
172 |
EDJ-MED-33064c06-1
|
|
CC(C)(CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)N |
−8.3
± 0.4
|
6.0
± 0.3
|
173 |
MAT-POS-853c0ffa-1
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl |
−8.2
± 0.1
|
6.01
± 0.09
|
174 |
MAT-POS-e75f6e44-12
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)CO |
−8.2
± 0.2
|
6.0
± 0.2
|
175 |
DAR-DIA-0f7b7cd9-9
|
|
c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CCOc5c4cc(cc5)Cl |
−8.2
± 0.4
|
6.0
± 0.3
|
176 |
MAT-POS-e75f6e44-13
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CCC6 |
−8.2
± 0.2
|
6.0
± 0.2
|
177 |
EDJ-MED-accc2c4d-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)C6(CC6)C#N |
−8.2
± 0.7
|
6.0
± 0.5
|
178 |
12_-111-3e02a1cd-2
|
|
COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.2
± 0.3
|
6.0
± 0.2
|
179 |
BEN-BAS-c2bc0d80-6
|
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl |
−8.2
± 0.1
|
5.97
± 0.08
|
180 |
EDJ-MED-159244ea-1
|
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CCOc5c4cc(cc5)Cl |
−8.2
± 0.3
|
5.9
± 0.2
|
181 |
VLA-UNK-5d8210f0-4
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1C(F)(F)F)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.2
± 0.4
|
5.9
± 0.3
|
182 |
ALP-POS-477dc5b7-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl |
−8.2
± 0.2
|
5.9
± 0.2
|
183 |
MAT-POS-94643566-1
|
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl |
−8.2
± 0.1
|
5.94
± 0.08
|
184 |
EDJ-MED-8bb691af-6
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.1
± 0.8
|
5.9
± 0.6
|
185 |
MAT-POS-1d5ab790-3
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl |
−8.1
± 0.1
|
5.92
± 0.09
|
186 |
MIK-ENA-5d9157e9-1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.1
± 0.6
|
5.9
± 0.5
|
187 |
LUO-POS-e1dab717-19
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)O |
−8.0
± 0.2
|
5.8
± 0.2
|
188 |
PET-UNK-626a1084-1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−8.0
± 0.3
|
5.8
± 0.2
|
189 |
EDJ-MED-94fddcec-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.0
± 0.4
|
5.8
± 0.3
|
190 |
MAT-POS-38eb6498-5
|
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
−7.9
± 0.4
|
5.8
± 0.3
|
191 |
ALP-POS-ecbed2ba-7
|
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.9
± 0.4
|
5.8
± 0.3
|
192 |
EDJ-MED-40e596c8-5
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−7.9
± 0.4
|
5.7
± 0.3
|
193 |
VLA-UNK-e334495f-2
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(c(c5)F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.8
± 0.8
|
5.7
± 0.6
|
194 |
PET-UNK-77d5678a-3
|
|
COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.8
± 0.3
|
5.7
± 0.2
|
195 |
MAT-POS-38eb6498-4
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl |
−7.8
± 0.4
|
5.7
± 0.3
|
196 |
EDJ-MED-d4864bdc-4
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.8
± 0.5
|
5.7
± 0.4
|
197 |
PET-UNK-6af7266d-2
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 |
−7.8
± 0.3
|
5.7
± 0.2
|
198 |
VLA-UNK-61877630-7
|
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.8
± 0.8
|
5.7
± 0.6
|
199 |
MAT-POS-853c0ffa-13
|
|
c1cc2cncc(c2cc1F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.8
± 0.9
|
5.7
± 0.6
|
200 |
EDJ-MED-94fddcec-5
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.7
± 0.4
|
5.6
± 0.3
|