molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3260567 |
|
IC50 |
= |
13.0 |
nM |
399.43 |
Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1 |
Homo sapiens |
CHEMBL3269163 |
single protein format |
CHEMBL1829511 |
OBDepict
CH
3
N
CH
3
O
N
N
N
N
H
N
|
IC50 |
= |
18.0 |
nM |
400.49 |
CN(C)CCCOc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cn1 |
Homo sapiens |
CHEMBL1831614 |
cell-based format |
CHEMBL492634 |
OBDepict
H
3
C
N
N
H
N
N
N
O
NH
2
|
IC50 |
= |
23.0 |
nM |
420.48 |
Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1 |
Homo sapiens |
CHEMBL3269163 |
single protein format |
CHEMBL3818173 |
OBDepict
O
N
H
N
NH
Cl
O
N
O
|
IC50 |
= |
31.0 |
nM |
332.75 |
O=C(Nc1cc(Nc2c(Cl)cnc3c2OCO3)ccn1)C1CC1 |
Homo sapiens |
CHEMBL3820166 |
assay format |
CHEMBL424676 |
OBDepict
CH
3
N
H
3
C
O
N
N
N
H
N
|
IC50 |
= |
46.0 |
nM |
385.47 |
CN(C)CCOc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1 |
Homo sapiens |
CHEMBL1831614 |
cell-based format |
CHEMBL2024684 |
OBDepict
H
3
C
N
N
N
N
O
N
CH
3
|
IC50 |
= |
59.0 |
nM |
317.35 |
Cc1cccc(-n2nccc2-c2ccc3ncn(C)c(=O)c3c2)n1 |
Homo sapiens |
CHEMBL2026331 |
single protein format |
CHEMBL226838 |
OBDepict
H
3
C
N
N
N
H
CH
3
CH
3
CH
3
O
O
|
IC50 |
= |
70.0 |
nM |
335.41 |
Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1 |
Homo sapiens |
CHEMBL3269163 |
single protein format |
CHEMBL4280731 |
OBDepict
H
3
C
NH
O
N
N
H
N
N
O
D
D
D
|
IC50 |
< |
100.0 |
nM |
362.41 |
[2H]C([2H])([2H])Oc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cccnc23)nc1 |
Homo sapiens |
CHEMBL4270435 |
single protein format |
CHEMBL4284170 |
OBDepict
H
3
C
NH
O
N
N
H
N
N
F
F
|
IC50 |
< |
100.0 |
nM |
379.37 |
CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2cccc(C(F)F)n2)ccn1 |
Homo sapiens |
CHEMBL4270435 |
single protein format |
CHEMBL1829512 |
OBDepict
CH
3
N
N
N
N
N
N
H
N
|
IC50 |
= |
108.0 |
nM |
397.49 |
CN1CCN(c2ccc(-c3cc(-c4c[nH]nc4-c4ccccn4)ccn3)cn2)CC1 |
Homo sapiens |
CHEMBL1831614 |
cell-based format |
CHEMBL6250 |
OBDepict
OH
O
N
N
H
N
O
O
|
IC50 |
= |
158.0 |
nM |
385.38 |
O=C(O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1 |
Homo sapiens |
CHEMBL4817029 |
single protein format |
CHEMBL4550702 |
OBDepict
CH
3
N
N
N
N
N
S
NH
O
F
F
F
|
IC50 |
= |
170.0 |
nM |
406.39 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479694 |
assay format |
CHEMBL2385596 |
OBDepict
CH
3
N
N
N
N
N
N
|
IC50 |
= |
183.0 |
nM |
420.52 |
CN1CCN(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1 |
Homo sapiens |
CHEMBL2390523 |
single protein format |
CHEMBL4742906 |
OBDepict
CH
3
N
N
N
NH
HN
|
IC50 |
= |
192.0 |
nM |
419.53 |
Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2ccccc2n1 |
Homo sapiens |
CHEMBL4727756 |
single protein format |
CHEMBL2364611 |
OBDepict
CH
3
N
N
N
N
O
NH
2
|
IC50 |
= |
199.0 |
nM |
369.43 |
Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1 |
Homo sapiens |
CHEMBL3269163 |
single protein format |
CHEMBL4569508 |
OBDepict
O
N
H
S
F
F
F
N
N
N
O
N
|
IC50 |
= |
200.0 |
nM |
529.59 |
O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1 |
Homo sapiens |
CHEMBL4479694 |
assay format |
CHEMBL1828640 |
OBDepict
H
N
N
N
N
N
N
CH
3
|
IC50 |
= |
224.0 |
nM |
302.34 |
Cn1cc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cn1 |
Homo sapiens |
CHEMBL1831614 |
cell-based format |
CHEMBL513147 |
OBDepict
HN
N
N
N
N
N
|
IC50 |
= |
297.0 |
nM |
406.49 |
c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1 |
Homo sapiens |
CHEMBL4328307 |
single protein format |
CHEMBL2385582 |
OBDepict
O
N
N
N
N
N
|
IC50 |
= |
326.0 |
nM |
407.48 |
c1ccc2c(-c3cnn4cc(-c5ccc(N6CCOCC6)cc5)cnc34)ccnc2c1 |
Homo sapiens |
CHEMBL2390523 |
single protein format |
CHEMBL4778971 |
OBDepict
F
F
N
N
H
3
C
N
N
H
N
H
|
IC50 |
= |
390.0 |
nM |
455.51 |
Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2cc(F)cc(F)c2n1 |
Homo sapiens |
CHEMBL4727756 |
single protein format |
CHEMBL4740381 |
OBDepict
CH
3
N
N
N
N
HN
|
IC50 |
= |
464.0 |
nM |
419.53 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2ccccc2n1 |
Homo sapiens |
CHEMBL4727756 |
single protein format |
CHEMBL4788859 |
OBDepict
F
N
N
H
3
C
N
N
HN
|
IC50 |
= |
568.7 |
nM |
437.52 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)ccc2n1 |
Homo sapiens |
CHEMBL4727756 |
single protein format |
CHEMBL4786529 |
OBDepict
F
F
N
N
H
3
C
N
N
HN
|
IC50 |
= |
596.1 |
nM |
455.51 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)cc(F)c2n1 |
Homo sapiens |
CHEMBL4727756 |
single protein format |
CHEMBL4568087 |
OBDepict
H
3
C
N
N
N
N
N
S
N
H
O
H
H
H
2
N
|
IC50 |
= |
730.0 |
nM |
421.53 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479694 |
assay format |
CHEMBL1829504 |
OBDepict
H
N
N
N
N
N
N
|
IC50 |
= |
882.0 |
nM |
288.31 |
c1ccc(-c2n[nH]cc2-c2ccnc(-n3cccn3)c2)nc1 |
Homo sapiens |
CHEMBL1831614 |
cell-based format |
CHEMBL1829505 |
OBDepict
H
N
N
N
N
N
N
|
IC50 |
= |
956.0 |
nM |
288.31 |
c1ccc(-c2n[nH]cc2-c2ccnc(-n3ccnc3)c2)nc1 |
Homo sapiens |
CHEMBL1831614 |
cell-based format |