molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3901808 |
|
IC50 |
= |
4.0 |
nM |
287.41 |
CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCN)cc1 |
Homo sapiens |
CHEMBL3859038 |
single protein format |
CHEMBL4079503 |
OBDepict
O
HN
N
H
N
O
N
F
|
IC50 |
= |
10.0 |
nM |
316.34 |
O=C(NCC(=O)N1CCCC1)Nc1ccc2cnc(F)cc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4076640 |
OBDepict
O
N
H
N
H
N
O
N
|
IC50 |
= |
17.0 |
nM |
326.4 |
O=C(NCC(=O)N1CCCCCC1)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4061429 |
OBDepict
O
HN
N
H
N
O
Cl
N
|
IC50 |
= |
19.0 |
nM |
332.79 |
O=C(NCC(=O)N1CCCC1)Nc1cc(Cl)c2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4094513 |
OBDepict
NH
2
N
CH
3
S
Cl
|
IC50 |
= |
22.0 |
nM |
306.86 |
CN(CCN)Cc1ccccc1Sc1ccccc1Cl |
Homo sapiens |
CHEMBL4026501 |
single protein format |
CHEMBL4061085 |
OBDepict
O
N
H
NH
N
O
N
|
IC50 |
= |
22.0 |
nM |
338.41 |
O=C(NCC(=O)N1C2CCCC1CC2)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4086964 |
OBDepict
O
NH
N
H
N
O
N
F
F
|
IC50 |
= |
35.0 |
nM |
348.35 |
O=C(NCC(=O)N1CCC(F)(F)CC1)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4095787 |
OBDepict
O
NH
N
H
CH
3
N
O
N
|
IC50 |
= |
36.0 |
nM |
312.37 |
Cc1cc2cnccc2cc1NC(=O)NCC(=O)N1CCCC1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4082966 |
OBDepict
O
NH
N
H
N
O
N
|
IC50 |
= |
46.0 |
nM |
324.38 |
O=C(NCC(=O)N1C2CCC1CC2)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4105488 |
OBDepict
O
N
H
HN
N
O
N
|
IC50 |
= |
55.0 |
nM |
338.41 |
O=C(NCC(=O)N1CC2CCCC2C1)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4097428 |
OBDepict
O
N
H
NH
N
O
N
|
IC50 |
= |
61.0 |
nM |
284.32 |
O=C(NCC(=O)N1CCC1)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4087094 |
OBDepict
O
HN
N
H
N
O
N
|
IC50 |
= |
84.0 |
nM |
312.37 |
O=C(NCC(=O)N1CCCCC1)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4082359 |
OBDepict
O
HN
N
H
N
O
CH
3
N
|
IC50 |
= |
87.0 |
nM |
326.4 |
CN(C(=O)CNC(=O)Nc1ccc2cnccc2c1)C1CCCC1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4072005 |
OBDepict
O
HN
N
H
N
O
N
|
IC50 |
= |
91.0 |
nM |
298.35 |
O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027816 |
cell-based format |
CHEMBL4065941 |
OBDepict
CH
3
N
O
H
3
C
N
H
N
H
O
N
|
IC50 |
= |
114.0 |
nM |
300.36 |
CCN(CC)C(=O)CNC(=O)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4077534 |
OBDepict
O
NH
N
H
F
N
O
N
|
IC50 |
= |
134.0 |
nM |
316.34 |
O=C(NCC(=O)N1CCCC1)Nc1cc2ccncc2cc1F |
Homo sapiens |
CHEMBL4027816 |
cell-based format |
CHEMBL4071410 |
OBDepict
O
NH
N
H
N
O
H
3
C
CH
3
N
|
IC50 |
= |
134.0 |
nM |
326.4 |
CC1CCC(C)N1C(=O)CNC(=O)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027816 |
cell-based format |
CHEMBL4090733 |
OBDepict
O
N
H
HN
N
O
H
3
C
CH
3
N
|
IC50 |
= |
150.0 |
nM |
272.31 |
CN(C)C(=O)CNC(=O)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4074611 |
OBDepict
O
HN
NH
N
H
O
N
|
IC50 |
= |
158.0 |
nM |
284.32 |
O=C(CNC(=O)Nc1ccc2cnccc2c1)NC1CC1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4097411 |
OBDepict
H
3
C
O
O
H
N
O
NH
NH
O
N
|
IC50 |
= |
166.0 |
nM |
356.38 |
COC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4059940 |
OBDepict
O
N
H
NH
N
O
CH
3
N
|
IC50 |
= |
194.0 |
nM |
312.37 |
Cc1nccc2cc(NC(=O)NCC(=O)N3CCCC3)ccc12 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL2325198 |
OBDepict
O
NH
HN
N
O
S
N
N
|
IC50 |
= |
230.0 |
nM |
319.39 |
O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1 |
Homo sapiens |
CHEMBL2330282 |
single protein format |
CHEMBL4062783 |
OBDepict
O
HN
N
H
N
O
N
F
F
F
F
|
IC50 |
= |
240.0 |
nM |
370.31 |
O=C(NCC(=O)N1CC(F)(F)C(F)(F)C1)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027816 |
cell-based format |
CHEMBL4101037 |
OBDepict
H
2
N
N
H
NH
O
N
|
IC50 |
= |
291.0 |
nM |
326.44 |
NCC1(CCNC(=O)Nc2ccc3cnccc3c2)CCCCC1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4063230 |
OBDepict
O
N
H
NH
NH
O
N
|
IC50 |
= |
292.0 |
nM |
312.37 |
O=C(CNC(=O)Nc1ccc2cnccc2c1)NC1CCCC1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4081032 |
OBDepict
O
N
H
HN
N
|
IC50 |
= |
295.0 |
nM |
283.38 |
O=C(NCCC1CCCC1)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL2325177 |
OBDepict
O
NH
HN
S
N
N
+
N
O
_
O
|
IC50 |
= |
300.0 |
nM |
329.34 |
O=C(NCc1ccc([N+](=O)[O-])cc1)Nc1ccc2nnsc2c1 |
Homo sapiens |
CHEMBL2330282 |
single protein format |
CHEMBL2325197 |
OBDepict
O
HN
NH
O
S
N
N
F
|
IC50 |
= |
360.0 |
nM |
330.34 |
O=C(NCC(=O)c1ccc(F)cc1)Nc1ccc2nnsc2c1 |
Homo sapiens |
CHEMBL2330282 |
single protein format |
CHEMBL4104833 |
OBDepict
O
N
H
NH
N
|
IC50 |
= |
421.0 |
nM |
295.39 |
O=C(NCCC1=CCCCC1)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4100373 |
OBDepict
CH
3
O
N
CH
3
O
N
H
N
H
O
N
|
IC50 |
= |
476.0 |
nM |
288.31 |
CON(C)C(=O)CNC(=O)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4084879 |
OBDepict
O
HN
N
H
HN
O
N
|
IC50 |
= |
477.0 |
nM |
326.4 |
O=C(CNC(=O)Nc1ccc2cnccc2c1)NC1CCCCC1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL2325183 |
OBDepict
O
NH
HN
O
S
N
N
|
IC50 |
= |
480.0 |
nM |
312.35 |
O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1 |
Homo sapiens |
CHEMBL2330282 |
single protein format |
CHEMBL2325195 |
OBDepict
O
NH
HN
OH
S
N
N
|
IC50 |
= |
490.0 |
nM |
320.42 |
O=C(NCC(O)C1CCCCC1)Nc1ccc2nnsc2c1 |
Homo sapiens |
CHEMBL2330282 |
single protein format |
CHEMBL4099065 |
OBDepict
O
N
H
NH
N
|
IC50 |
= |
540.0 |
nM |
297.4 |
O=C(NCCC1CCCCC1)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL4090682 |
OBDepict
O
N
H
NH
N
O
O
O
|
IC50 |
= |
757.0 |
nM |
317.35 |
O=C(NCC(=O)N1CCCCC1)Nc1ccc2c(c1)COC2=O |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL418052 |
OBDepict
NH
2
N
N
N
N
H
O
H
OH
H
H
HO
S
NH
2
H
O
HO
|
IC50 |
= |
760.0 |
nM |
384.42 |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL4684519 |
single protein format |
CHEMBL4067331 |
OBDepict
O
N
H
NH
N
|
IC50 |
= |
833.0 |
nM |
291.35 |
O=C(NCCc1ccccc1)Nc1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL2325196 |
OBDepict
O
NH
HN
O
S
N
N
|
IC50 |
= |
840.0 |
nM |
318.4 |
O=C(NCC(=O)C1CCCCC1)Nc1ccc2nnsc2c1 |
Homo sapiens |
CHEMBL2330282 |
single protein format |
CHEMBL2325178 |
OBDepict
O
HN
N
H
S
N
N
S
O
O
CH
3
|
IC50 |
= |
850.0 |
nM |
362.44 |
CS(=O)(=O)c1ccc(CNC(=O)Nc2ccc3nnsc3c2)cc1 |
Homo sapiens |
CHEMBL2330282 |
single protein format |
CHEMBL4588797 |
OBDepict
N
N
H
2
N
N
N
H
O
H
HO
H
H
OH
S
H
2
N
H
O
OH
|
IC50 |
= |
870.0 |
nM |
408.44 |
N#Cc1cn([C@@H]2O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |
Homo sapiens |
CHEMBL4479554 |
single protein format |
CHEMBL4068520 |
OBDepict
O
HN
N
H
N
O
N
N
|
IC50 |
= |
967.0 |
nM |
313.36 |
O=C(NCC(=O)N1CCCCC1)Nc1ccc2cncnc2c1 |
Homo sapiens |
CHEMBL4027812 |
single protein format |
CHEMBL2325442 |
OBDepict
O
N
H
NH
S
N
N
|
IC50 |
= |
1000.0 |
nM |
304.42 |
O=C(NCCC1CCCCC1)Nc1ccc2nnsc2c1 |
Homo sapiens |
CHEMBL2330282 |
single protein format |