molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL19611 |
|
IC50 |
= |
1.0 |
nM |
388.47 |
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C |
Homo sapiens |
CHEMBL829521 |
single protein format |
CHEMBL353536 |
OBDepict
H
3
C
O
P
N
O
NH
O
OH
O
O
H
3
C
|
IC50 |
= |
70.0 |
nM |
448.46 |
CCOCCOc1ccc(P(=O)(OCC)N2Cc3ccccc3CC2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL170315 |
OBDepict
OH
N
H
O
N
P
O
O
H
3
C
O
H
3
C
|
IC50 |
= |
70.0 |
nM |
376.35 |
COc1ccc(P(=O)(OC)N2Cc3ccccc3CC2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL206815 |
OBDepict
HO
O
S
N
O
O
H
S
N
H
O
CH
3
CH
3
OH
|
IC50 |
= |
85.0 |
nM |
414.51 |
CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO |
Homo sapiens |
CHEMBL3888014 |
single protein format |
CHEMBL3392650 |
OBDepict
HO
O
S
N
O
O
S
N
H
O
CH
3
CH
3
OH
|
IC50 |
= |
85.0 |
nM |
414.51 |
CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)C1C(=O)NO |
Homo sapiens |
CHEMBL3707626 |
single protein format |
CHEMBL173027 |
OBDepict
CH
3
O
P
N
O
O
HN
O
OH
N
|
IC50 |
= |
180.0 |
nM |
467.46 |
COc1ccc(P(=O)(OCCc2ccccn2)N2Cc3ccccc3CC2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL171962 |
OBDepict
H
3
C
O
P
N
O
HN
O
OH
O
H
2
N
H
3
C
|
IC50 |
= |
190.0 |
nM |
405.39 |
CCOP(=O)(c1ccc(OC)cc1)N1Cc2cc(N)ccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL366478 |
OBDepict
H
3
C
O
P
N
O
HN
O
OH
O
H
3
C
|
IC50 |
= |
230.0 |
nM |
390.38 |
CCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL355797 |
OBDepict
H
3
C
O
P
N
O
NH
O
OH
O
|
IC50 |
= |
260.0 |
nM |
452.45 |
CCOP(=O)(c1ccc(Oc2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL172885 |
OBDepict
H
3
C
O
P
N
O
HN
O
OH
F
|
IC50 |
= |
300.0 |
nM |
378.34 |
CCOP(=O)(c1ccc(F)cc1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL172548 |
OBDepict
CH
3
O
P
N
O
N
H
O
HO
|
IC50 |
= |
370.0 |
nM |
360.35 |
CCOP(=O)(c1ccccc1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL173235 |
OBDepict
CH
3
O
P
N
O
N
HN
O
OH
O
O
O
CH
3
|
IC50 |
= |
430.0 |
nM |
477.45 |
CCOP(=O)(c1ccc(OC)cc1)N1CCN(C(=O)OCc2ccccc2)CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL368857 |
OBDepict
H
3
C
O
O
P
N
O
HN
O
OH
O
CH
3
|
IC50 |
= |
510.0 |
nM |
434.43 |
CCOCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL173316 |
OBDepict
CH
3
O
P
N
O
N
H
O
S
OH
O
CH
3
|
IC50 |
= |
520.0 |
nM |
396.41 |
CCOP(=O)(c1ccc(OC)cc1)N1Cc2ccsc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL177072 |
OBDepict
H
3
C
O
P
N
O
N
HN
O
N
OH
O
H
3
C
|
IC50 |
= |
560.0 |
nM |
392.35 |
CCOP(=O)(c1ccc(OC)cc1)N1Cc2nccnc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL436049 |
OBDepict
H
3
C
O
P
N
O
HN
O
OH
H
2
N
|
IC50 |
= |
660.0 |
nM |
375.37 |
CCOP(=O)(c1ccc(N)cc1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL173686 |
OBDepict
H
3
C
O
P
N
O
NH
O
OH
O
N
|
IC50 |
= |
660.0 |
nM |
453.44 |
CCOP(=O)(c1ccc(Oc2ccncc2)cc1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL175164 |
OBDepict
H
3
C
O
P
N
O
HN
O
OH
|
IC50 |
= |
700.0 |
nM |
388.4 |
CCOP(=O)(CCc1ccccc1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL172249 |
OBDepict
H
3
C
O
P
N
O
N
HN
O
H
HO
O
H
3
C
|
IC50 |
= |
800.0 |
nM |
429.41 |
CCOP(=O)(c1ccc(OC)cc1)N1Cc2[nH]c3ccccc3c2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL368205 |
OBDepict
H
3
C
O
P
N
O
NH
O
OH
O
H
3
C
|
IC50 |
= |
810.0 |
nM |
418.43 |
CCCCOP(=O)(c1ccc(OC)cc1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL172415 |
OBDepict
CH
3
O
P
N
O
N
H
O
F
HO
|
IC50 |
= |
830.0 |
nM |
378.34 |
CCOP(=O)(c1cccc(F)c1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL367710 |
OBDepict
CH
3
O
P
N
O
S
N
H
O
HO
|
IC50 |
= |
890.0 |
nM |
366.38 |
CCOP(=O)(c1cccs1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |
CHEMBL172722 |
OBDepict
H
3
C
O
P
N
O
HN
O
OH
|
IC50 |
= |
910.0 |
nM |
386.39 |
CCOP(=O)(/C=C/c1ccccc1)N1Cc2ccccc2CC1C(=O)NO |
Homo sapiens |
CHEMBL675240 |
single protein format |