molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3827756 |
|
Ki |
= |
0.219 |
nM |
228.32 |
CCCCCCSc1nc(O)cc(O)n1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4444010 |
OBDepict
Br
NH
N
H
O
N
O
H
|
Ki |
= |
0.317 |
nM |
310.15 |
O=c1cc(NCCc2ccc(Br)cc2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL3827310 |
OBDepict
OH
N
OH
N
S
|
Ki |
= |
0.324 |
nM |
276.36 |
Oc1cc(O)nc(SCCCCc2ccccc2)n1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL88536 |
OBDepict
OH
N
N
H
N
OH
|
Ki |
= |
0.58 |
nM |
259.31 |
Oc1cc(NCCCCc2ccccc2)nc(O)n1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4547165 |
OBDepict
CH
3
N
H
N
H
O
N
O
H
|
Ki |
= |
0.582 |
nM |
259.31 |
CCc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL3827832 |
OBDepict
CH
3
N
H
N
H
O
N
O
H
|
Ki |
= |
0.626 |
nM |
239.32 |
CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4538049 |
OBDepict
Cl
NH
N
H
O
N
O
H
|
Ki |
= |
0.65 |
nM |
265.7 |
O=c1cc(NCCc2ccc(Cl)cc2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL3828415 |
OBDepict
OH
N
OH
N
S
|
Ki |
= |
0.7 |
nM |
262.33 |
Oc1cc(O)nc(SCCCc2ccccc2)n1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL125436 |
OBDepict
CH
3
N
H
N
OH
N
HO
|
Ki |
= |
0.726 |
nM |
267.37 |
CCCCCCCCCCNc1cc(O)nc(O)n1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4468895 |
OBDepict
CH
3
NH
N
H
O
N
O
H
|
Ki |
= |
0.866 |
nM |
225.29 |
CCCCCCCNc1cc(=O)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4521587 |
OBDepict
CH
3
NH
N
H
O
N
O
H
|
Ki |
= |
1.12 |
nM |
253.35 |
CCCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4439640 |
OBDepict
CH
3
NH
N
H
O
N
O
H
|
Ki |
= |
1.25 |
nM |
245.28 |
Cc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4580884 |
OBDepict
H
N
N
H
O
N
H
O
H
3
C
CH
3
H
3
C
|
Ki |
= |
1.27 |
nM |
287.36 |
CC(C)(C)c1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL3828298 |
OBDepict
H
3
C
N
HO
OH
|
Ki |
= |
1.56 |
nM |
237.34 |
CCCCCCCCCc1cc(O)cc(O)n1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4528940 |
OBDepict
H
N
NH
O
N
H
O
O
|
Ki |
= |
2.1 |
nM |
261.28 |
O=c1cc(NCCCOc2ccccc2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4571353 |
OBDepict
Cl
Cl
NH
N
H
O
N
O
H
|
Ki |
= |
2.3 |
nM |
300.14 |
O=c1cc(NCCc2ccc(Cl)cc2Cl)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4438595 |
OBDepict
Cl
S
N
N
H
HO
O
|
Ki |
= |
2.63 |
nM |
282.75 |
O=c1cc(O)nc(SCCc2ccc(Cl)cc2)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL124977 |
OBDepict
CH
3
N
H
N
OH
N
HO
|
Ki |
= |
2.98 |
nM |
211.26 |
CCCCCCNc1cc(O)nc(O)n1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4528577 |
OBDepict
H
N
N
H
O
N
H
O
O
|
Ki |
= |
3.12 |
nM |
247.25 |
O=c1cc(NCCOc2ccccc2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4562761 |
OBDepict
Br
S
N
N
H
HO
O
|
Ki |
= |
3.17 |
nM |
327.2 |
O=c1cc(O)nc(SCCc2ccc(Br)cc2)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4534827 |
OBDepict
CH
3
S
N
N
H
OH
O
|
Ki |
= |
3.28 |
nM |
262.33 |
Cc1ccc(CCSc2nc(O)cc(=O)[nH]2)cc1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4568775 |
OBDepict
CH
3
N
CH
3
N
H
O
N
O
H
|
Ki |
= |
3.6 |
nM |
253.35 |
CCCCCCCCN(C)c1cc(=O)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4467630 |
OBDepict
F
S
N
N
H
HO
O
|
Ki |
= |
3.77 |
nM |
266.3 |
O=c1cc(O)nc(SCCc2ccc(F)cc2)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4468678 |
OBDepict
Br
N
H
N
H
O
N
O
H
|
Ki |
= |
3.99 |
nM |
310.15 |
O=c1cc(NCCc2cccc(Br)c2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4473999 |
OBDepict
Cl
N
H
N
H
O
N
O
H
|
Ki |
= |
4.75 |
nM |
265.7 |
O=c1cc(NCCc2cccc(Cl)c2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4451909 |
OBDepict
CH
3
N
H
3
C
N
H
O
N
O
H
|
Ki |
= |
6.94 |
nM |
225.29 |
CCCCCCN(C)c1cc(=O)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4474487 |
OBDepict
F
N
H
N
H
O
N
O
H
|
Ki |
= |
9.48 |
nM |
249.25 |
O=c1cc(NCCc2cccc(F)c2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL314575 |
OBDepict
OH
N
N
H
N
OH
|
Ki |
= |
10.8 |
nM |
231.25 |
Oc1cc(NCCc2ccccc2)nc(O)n1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4565153 |
OBDepict
F
NH
N
H
O
N
O
H
|
Ki |
= |
11.4 |
nM |
249.25 |
O=c1cc(NCCc2ccc(F)cc2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4575870 |
OBDepict
H
N
N
O
N
H
O
N
|
Ki |
= |
14.7 |
nM |
312.37 |
O=c1cc(N2CCN(C3CCc4ccccc43)CC2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4517538 |
OBDepict
H
N
N
O
N
H
O
|
Ki |
= |
18.7 |
nM |
285.35 |
O=c1cc(N2CCC(Cc3ccccc3)CC2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL221137 |
OBDepict
H
3
C
O
HO
OH
O
|
Ki |
= |
23.6 |
nM |
294.39 |
CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4566117 |
OBDepict
CH
3
N
H
N
H
Br
O
N
O
H
|
Ki |
= |
34.7 |
nM |
318.22 |
CCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1Br |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4449633 |
OBDepict
F
NH
N
H
O
N
O
H
|
Ki |
= |
35.6 |
nM |
249.25 |
O=c1cc(NCCc2ccccc2F)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4534071 |
OBDepict
Cl
NH
N
H
O
N
O
H
|
Ki |
= |
36.0 |
nM |
265.7 |
O=c1cc(NCCc2ccccc2Cl)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4574495 |
OBDepict
F
F
F
S
N
N
H
OH
O
|
Ki |
= |
36.7 |
nM |
316.3 |
O=c1cc(O)nc(SCCc2ccc(C(F)(F)F)cc2)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4462370 |
OBDepict
CH
3
N
H
N
H
N
O
N
O
O
H
|
Ki |
= |
37.0 |
nM |
268.32 |
CCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N=O |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4541166 |
OBDepict
H
3
C
NH
N
H
O
N
O
H
|
Ki |
= |
37.4 |
nM |
209.25 |
CCC/C=C/CNc1cc(=O)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4584001 |
OBDepict
Cl
N
N
N
H
O
N
O
H
|
Ki |
= |
44.4 |
nM |
306.75 |
O=c1cc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4466657 |
OBDepict
H
N
HN
O
N
H
O
S
|
Ki |
= |
49.4 |
nM |
237.28 |
O=c1cc(NCCc2cccs2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4574715 |
OBDepict
CH
3
NH
N
H
N
O
N
O
O
H
|
Ki |
= |
58.6 |
nM |
254.29 |
CCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N=O |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4459188 |
OBDepict
H
N
N
O
N
H
O
N
|
Ki |
= |
62.7 |
nM |
336.39 |
O=c1cc(N2CCN(Cc3cccc4ccccc34)CC2)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL124310 |
OBDepict
CH
3
NH
N
OH
N
HO
|
Ki |
= |
91.0 |
nM |
197.24 |
CCCCCNc1cc(O)nc(O)n1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL108030 |
OBDepict
CH
3
O
HO
|
Ki |
= |
108.0 |
nM |
186.29 |
CCCCCCCCCCC(=O)O |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4288936 |
OBDepict
CH
3
OH
O
OH
|
Ki |
= |
110.0 |
nM |
216.32 |
CCCCCCCCCC(O)CC(=O)O |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4442407 |
OBDepict
H
3
C
S
N
N
HO
O
OH
|
Ki |
= |
145.0 |
nM |
256.33 |
CCCCCCSc1nc(O)cc(C(=O)O)n1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4434708 |
OBDepict
O
N
HN
N
O
N
H
H
O
|
Ki |
= |
189.0 |
nM |
274.28 |
O=Nc1c(NCCCc2ccccc2)[nH]c(=O)[nH]c1=O |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4456565 |
OBDepict
H
3
C
NH
N
H
Br
O
N
O
H
|
Ki |
= |
225.0 |
nM |
290.16 |
CCCCCCNc1[nH]c(=O)[nH]c(=O)c1Br |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4455292 |
OBDepict
OH
HN
N
H
O
N
O
H
|
Ki |
= |
267.0 |
nM |
241.29 |
O=c1cc(NCCCCCCCO)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL2004471 |
OBDepict
CH
3
OH
O
HO
|
Ki |
= |
318.0 |
nM |
244.37 |
CCCCCCCCCCCCC(O)C(=O)O |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4518826 |
OBDepict
CH
3
HN
O
N
H
O
N
O
H
|
Ki |
= |
469.0 |
nM |
239.27 |
CCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL1232858 |
OBDepict
CH
3
OH
H
O
OH
|
Ki |
= |
472.0 |
nM |
244.38 |
CCCCCCCCCCC[C@@H](O)CC(=O)O |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4470574 |
OBDepict
H
N
N
H
O
N
H
O
N
H
|
Ki |
= |
497.0 |
nM |
270.29 |
O=c1cc(NCCc2c[nH]c3ccccc23)[nH]c(=O)[nH]1 |
Homo sapiens |
CHEMBL4343759 |
cell-based format |
CHEMBL4456892 |
OBDepict
CH
3
OH
O
OH
|
Ki |
= |
511.0 |
nM |
244.37 |
CCCCCCCCCCCC(O)CC(=O)O |
Homo sapiens |
CHEMBL4343759 |
cell-based format |