molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4744833 |
|
IC50 |
= |
8.1 |
nM |
374.38 |
COC(=O)N(C[C@H]1CCCN1C)C1(c2ccc(F)c(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4672964 |
cell-based format |
CHEMBL4749039 |
OBDepict
CH
3
O
N
O
NH
2
H
3
C
H
3
C
F
F
F
F
|
IC50 |
= |
8.6 |
nM |
348.34 |
COC(=O)N(CC(C)(C)N)C1(c2ccc(F)c(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4672964 |
cell-based format |
CHEMBL4791725 |
OBDepict
CH
3
O
N
O
H
NH
O
F
F
F
F
|
IC50 |
= |
8.7 |
nM |
376.35 |
COC(=O)N(C[C@@H]1CCCN1)C1(c2ccc(F)c(OC(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4672964 |
cell-based format |
CHEMBL42205 |
OBDepict
F
O
H
2
N
F
|
IC50 |
= |
9.0 |
nM |
323.34 |
NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccccc1F |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL272039 |
OBDepict
F
O
H
2
N
F
F
|
IC50 |
= |
10.0 |
nM |
341.33 |
NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1F |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL405821 |
OBDepict
F
O
H
2
N
F
|
IC50 |
= |
12.0 |
nM |
323.34 |
NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL260736 |
OBDepict
F
O
H
2
N
F
F
|
IC50 |
= |
13.0 |
nM |
341.33 |
NC(=O)C(c1cccc(F)c1)(c1cccc(F)c1)c1cccc(F)c1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL4788143 |
OBDepict
F
F
F
F
N
NH
2
CH
3
H
3
C
|
IC50 |
= |
14.0 |
nM |
344.4 |
CC(C)(N)CN(CC1CC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4672964 |
cell-based format |
CHEMBL272040 |
OBDepict
H
2
N
O
F
F
|
IC50 |
= |
14.0 |
nM |
323.34 |
NC(=O)C(c1ccccc1)(c1ccccc1)c1ccc(F)c(F)c1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL270704 |
OBDepict
H
2
N
O
F
F
F
|
IC50 |
= |
14.0 |
nM |
341.33 |
NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL408700 |
OBDepict
F
O
H
2
N
F
F
|
IC50 |
= |
15.0 |
nM |
341.33 |
NC(=O)C(c1ccc(F)cc1)(c1cccc(F)c1)c1cccc(F)c1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL270071 |
OBDepict
F
O
NH
2
|
IC50 |
= |
15.0 |
nM |
305.35 |
NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1F |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL273092 |
OBDepict
F
O
H
2
N
F
F
|
IC50 |
= |
15.0 |
nM |
341.33 |
NC(=O)C(c1ccc(F)cc1)(c1ccccc1F)c1ccccc1F |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL260953 |
OBDepict
F
O
H
2
N
F
F
|
IC50 |
= |
17.0 |
nM |
341.33 |
NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccc(F)c1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL4756080 |
OBDepict
H
3
C
H
2
N
CH
3
N
F
F
F
|
IC50 |
= |
18.0 |
nM |
326.41 |
CC(C)(N)CN(C1CCC1)C1(c2cccc(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4672964 |
cell-based format |
CHEMBL498270 |
OBDepict
Cl
N
N
|
IC50 |
= |
20.0 |
nM |
344.85 |
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1 |
Homo sapiens |
CHEMBL1032478 |
cell-based format |
CHEMBL406683 |
OBDepict
Cl
H
2
N
|
IC50 |
= |
20.0 |
nM |
293.8 |
NC(c1ccccc1)(c1ccccc1)c1ccccc1Cl |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL4764429 |
OBDepict
H
3
C
NH
2
CH
3
N
F
F
F
|
IC50 |
= |
24.0 |
nM |
312.38 |
CC(C)(N)CN(C1CC1)C1(c2cccc(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4672964 |
cell-based format |
CHEMBL261606 |
OBDepict
F
O
NH
2
F
|
IC50 |
= |
30.0 |
nM |
323.34 |
NC(=O)C(c1ccccc1)(c1ccccc1F)c1ccccc1F |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL261828 |
OBDepict
F
O
H
2
N
F
|
IC50 |
= |
30.0 |
nM |
323.34 |
NC(=O)C(c1ccccc1)(c1cccc(F)c1)c1cccc(F)c1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL270913 |
OBDepict
F
F
O
H
2
N
|
IC50 |
= |
34.0 |
nM |
323.34 |
NC(=O)C(c1ccccc1)(c1ccccc1)c1ccc(F)cc1F |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL3287207 |
OBDepict
O
N
S
O
O
CH
3
S
O
F
F
F
F
|
IC50 |
= |
39.0 |
nM |
409.38 |
CC(c1ccc(F)c(OC(F)(F)F)c1)N1C(=O)CS(=O)(=O)c2ccsc21 |
Homo sapiens |
CHEMBL3293066 |
cell-based format |
CHEMBL258604 |
OBDepict
F
O
H
2
N
|
IC50 |
= |
40.0 |
nM |
305.35 |
NC(=O)C(c1ccccc1)(c1ccccc1)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL3287210 |
OBDepict
O
N
S
CH
3
N
F
F
F
|
IC50 |
= |
41.0 |
nM |
338.35 |
CC(c1cccc(C(F)(F)F)c1)N1C(=O)CSc2cccnc21 |
Homo sapiens |
CHEMBL3293066 |
cell-based format |
CHEMBL4745327 |
OBDepict
CH
3
O
N
O
NH
2
H
3
C
H
3
C
F
F
F
F
|
IC50 |
= |
47.0 |
nM |
362.37 |
CCOC(=O)N(CC(C)(C)N)C1(c2ccc(F)c(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4672964 |
cell-based format |
CHEMBL3287208 |
OBDepict
O
N
S
O
O
S
O
F
F
F
F
|
IC50 |
= |
48.0 |
nM |
395.36 |
O=C1CS(=O)(=O)c2sccc2N1Cc1ccc(F)c(OC(F)(F)F)c1 |
Homo sapiens |
CHEMBL3293066 |
cell-based format |
CHEMBL3287205 |
OBDepict
O
N
S
O
O
N
O
F
F
F
F
|
IC50 |
= |
49.0 |
nM |
390.31 |
O=C1CS(=O)(=O)c2cccnc2N1Cc1ccc(F)c(OC(F)(F)F)c1 |
Homo sapiens |
CHEMBL3293066 |
cell-based format |
CHEMBL4743839 |
OBDepict
CH
3
O
N
O
H
NH
F
F
F
F
|
IC50 |
= |
52.0 |
nM |
374.38 |
CCOC(=O)N(C[C@@H]1CCCN1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4672964 |
cell-based format |
CHEMBL3287209 |
OBDepict
O
N
S
N
O
F
F
F
|
IC50 |
= |
52.0 |
nM |
340.33 |
O=C1CSc2cccnc2N1Cc1cccc(OC(F)(F)F)c1 |
Homo sapiens |
CHEMBL3293066 |
cell-based format |
CHEMBL3287212 |
OBDepict
O
N
S
CH
3
S
N
O
F
F
F
F
|
IC50 |
= |
60.0 |
nM |
378.37 |
CC(c1ccc(F)c(OC(F)(F)F)c1)N1C(=O)CSc2ncsc21 |
Homo sapiens |
CHEMBL3293066 |
cell-based format |
CHEMBL3287211 |
OBDepict
OH
N
N
S
O
Cl
F
F
F
|
IC50 |
= |
66.0 |
nM |
388.8 |
O=C1CSc2ccc(CO)nc2N1Cc1ccc(Cl)c(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3293066 |
cell-based format |
CHEMBL272255 |
OBDepict
NH
2
|
IC50 |
= |
70.0 |
nM |
259.35 |
NC(c1ccccc1)(c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL4780941 |
OBDepict
F
F
F
F
N
S
O
O
CH
3
H
2
N
CH
3
CH
3
|
IC50 |
= |
75.0 |
nM |
368.4 |
CC(C)(N)CN(C1(c2ccc(F)c(C(F)(F)F)c2)CC1)S(C)(=O)=O |
Homo sapiens |
CHEMBL4672964 |
cell-based format |
CHEMBL4785936 |
OBDepict
CH
3
O
N
O
H
2
N
CH
3
CH
3
O
F
F
F
F
|
IC50 |
= |
92.0 |
nM |
364.34 |
COC(=O)N(CC(C)(C)N)C1(c2ccc(F)c(OC(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL4672964 |
cell-based format |
CHEMBL3287206 |
OBDepict
O
N
S
O
O
N
S
O
H
3
C
CH
3
F
F
F
F
|
IC50 |
= |
96.0 |
nM |
438.42 |
CC(C)c1nc2c(s1)S(=O)(=O)CC(=O)N2Cc1ccc(F)c(OC(F)(F)F)c1 |
Homo sapiens |
CHEMBL3293066 |
cell-based format |
CHEMBL270495 |
OBDepict
H
3
C
O
O
|
IC50 |
= |
330.0 |
nM |
302.37 |
COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL104 |
OBDepict
Cl
N
N
|
IC50 |
= |
360.0 |
nM |
344.85 |
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL2312926 |
OBDepict
O
P
N
|
IC50 |
= |
500.0 |
nM |
369.4 |
O=P(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1cccnc1 |
Homo sapiens |
CHEMBL2319030 |
single protein format |
CHEMBL270288 |
OBDepict
CH
3
HN
|
IC50 |
= |
550.0 |
nM |
273.38 |
CNC(c1ccccc1)(c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL948111 |
single protein format |
CHEMBL2312925 |
OBDepict
O
P
N
N
|
IC50 |
= |
1000.0 |
nM |
370.39 |
O=P(c1ccccc1)(c1ccccc1)C(c1cccnc1)c1cccnc1 |
Homo sapiens |
CHEMBL2319030 |
single protein format |