molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4072828 |
|
IC50 |
= |
0.65 |
nM |
494.48 |
O=C(NCc1ccccc1C(F)(F)F)c1cccc(NCc2nnc3n2CCOc2cnccc2-3)c1 |
Homo sapiens |
CHEMBL4040380 |
assay format |
CHEMBL4082775 |
OBDepict
O
HN
N
H
N
N
H
N
N
|
IC50 |
= |
1.8 |
nM |
384.44 |
O=C(NCc1ccccc1)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 |
Homo sapiens |
CHEMBL4040380 |
assay format |
CHEMBL4083276 |
OBDepict
CH
3
N
N
N
NH
N
N
H
O
|
IC50 |
= |
3.3 |
nM |
412.5 |
CCn1c(CNc2cccc(C(=O)NCc3ccccc3)c2)nnc1-c1ccncc1 |
Homo sapiens |
CHEMBL4040380 |
assay format |
CHEMBL4065690 |
OBDepict
O
NH
NH
N
H
N
H
3
C
N
|
IC50 |
= |
4.3 |
nM |
397.48 |
Cc1c(-c2ccncc2)n[nH]c1CNc1cccc(C(=O)NCc2ccccc2)c1 |
Homo sapiens |
CHEMBL4040380 |
assay format |
CHEMBL1738877 |
OBDepict
O
NH
NH
F
F
F
N
N
N
H
3
C
N
|
IC50 |
= |
5.4 |
nM |
466.47 |
Cn1c(CNc2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)nnc1-c1ccncc1 |
Homo sapiens |
CHEMBL4040380 |
assay format |
CHEMBL3728662 |
OBDepict
O
NH
NH
N
Cl
Cl
NH
O
N
|
Ki |
= |
10.0 |
nM |
442.31 |
O=C(CNc1cccc(C(=O)Nc2ccccc2)c1)N/N=C/c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3728346 |
OBDepict
O
NH
NH
N
NH
O
N
|
Ki |
= |
10.0 |
nM |
373.42 |
O=C(CNc1cccc(C(=O)Nc2ccccc2)c1)N/N=C/c1ccncc1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3732018 |
OBDepict
CH
3
O
HN
N
H
O
N
Cl
Cl
N
|
Ki |
= |
10.0 |
nM |
353.21 |
COc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3729453 |
OBDepict
O
NH
NH
N
O
NH
2
N
|
Ki |
= |
10.0 |
nM |
297.32 |
NC(=O)c1cccc(NCC(=O)N/N=C/c2ccncc2)c1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3728772 |
OBDepict
CH
3
O
HN
N
H
O
N
N
|
Ki |
= |
10.0 |
nM |
284.32 |
COc1cccc(NCC(=O)N/N=C/c2ccncc2)c1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL4095595 |
OBDepict
CH
3
N
H
O
N
H
N
N
H
N
N
|
IC50 |
= |
21.0 |
nM |
308.35 |
CNC(=O)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 |
Homo sapiens |
CHEMBL4040380 |
assay format |
CHEMBL60254 |
OBDepict
OH
HN
O
H
N
H
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
47.0 |
nM |
550.52 |
O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL1106957 |
single protein format |
CHEMBL3730555 |
OBDepict
O
NH
NH
N
O
N
|
Ki |
= |
100.0 |
nM |
360.42 |
O=C(CNc1cccc(OCc2ccccc2)c1)N/N=C/c1ccncc1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3727728 |
OBDepict
O
NH
NH
N
O
N
|
Ki |
= |
100.0 |
nM |
346.39 |
O=C(CNc1cccc(Oc2ccccc2)c1)N/N=C/c1ccncc1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3731262 |
OBDepict
O
NH
N
N
H
H
3
C
O
N
|
Ki |
= |
100.0 |
nM |
374.44 |
C/C(=NNC(=O)CNc1cccc(OCc2ccccc2)c1)c1ccncc1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3729044 |
OBDepict
CH
3
O
N
H
HN
O
N
CH
3
N
|
Ki |
= |
100.0 |
nM |
298.35 |
COc1cccc(NCC(=O)N/N=C(C)c2ccncc2)c1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3729597 |
OBDepict
O
NH
N
N
H
H
3
C
O
N
|
Ki |
= |
100.0 |
nM |
360.42 |
C/C(=NNC(=O)CNc1cccc(Oc2ccccc2)c1)c1ccncc1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3732155 |
OBDepict
O
N
H
N
NH
CH
3
N
N
H
O
|
Ki |
= |
100.0 |
nM |
387.44 |
C/C(=NNC(=O)CNc1cccc(C(=O)Nc2ccccc2)c1)c1ccncc1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3729682 |
OBDepict
CH
3
HN
O
HN
N
H
O
N
N
|
Ki |
= |
100.0 |
nM |
311.35 |
CNC(=O)c1cccc(NCC(=O)N/N=C/c2ccncc2)c1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3727997 |
OBDepict
O
NH
NH
N
O
Cl
Cl
N
|
Ki |
= |
100.0 |
nM |
429.31 |
O=C(CNc1cccc(OCc2ccccc2)c1)N/N=C/c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3729970 |
OBDepict
CH
3
S
HN
N
H
O
N
Cl
Cl
N
|
Ki |
= |
100.0 |
nM |
369.28 |
CSc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3729247 |
OBDepict
CH
3
HN
O
HN
N
H
O
N
Cl
Cl
N
|
Ki |
= |
100.0 |
nM |
380.24 |
CNC(=O)c1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3731472 |
OBDepict
O
NH
NH
N
O
Cl
Cl
N
|
Ki |
= |
100.0 |
nM |
415.28 |
O=C(CNc1cccc(Oc2ccccc2)c1)N/N=C/c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3733136 |
OBDepict
CH
3
S
HN
N
H
O
N
N
|
Ki |
= |
100.0 |
nM |
300.39 |
CSc1cccc(NCC(=O)N/N=C/c2ccncc2)c1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
850.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328434 |
single protein format |
CHEMBL3730250 |
OBDepict
O
NH
NH
N
F
Cl
Cl
N
|
Ki |
= |
1000.0 |
nM |
341.17 |
O=C(CNc1cccc(F)c1)N/N=C/c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3731114 |
OBDepict
O
N
H
HN
N
S
O
O
NH
2
N
|
Ki |
= |
1000.0 |
nM |
333.37 |
NS(=O)(=O)c1cccc(NCC(=O)N/N=C/c2ccncc2)c1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3728684 |
OBDepict
O
NH
NH
N
F
N
|
Ki |
= |
1000.0 |
nM |
272.28 |
O=C(CNc1cccc(F)c1)N/N=C/c1ccncc1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3728445 |
OBDepict
O
NH
NH
N
Cl
N
|
Ki |
= |
1000.0 |
nM |
288.74 |
O=C(CNc1cccc(Cl)c1)N/N=C/c1ccncc1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3730586 |
OBDepict
O
N
H
HN
N
S
Cl
Cl
O
O
NH
2
N
|
Ki |
= |
1000.0 |
nM |
402.26 |
NS(=O)(=O)c1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 |
Homo sapiens |
CHEMBL3734284 |
single protein format |
CHEMBL3732736 |
OBDepict
O
NH
NH
N
Cl
Cl
Cl
N
|
Ki |
= |
1000.0 |
nM |
357.63 |
O=C(CNc1cccc(Cl)c1)N/N=C/c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3734284 |
single protein format |