molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4777495 |
|
Ki |
= |
10.0 |
nM |
350.42 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(C)cc(C)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4799483 |
OBDepict
H
3
C
O
N
O
N
N
N
H
O
CH
3
H
F
F
F
F
|
Ki |
= |
11.0 |
nM |
424.35 |
COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3F)c(=O)c12 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4789720 |
OBDepict
H
3
C
O
N
O
N
N
N
H
O
CH
3
H
F
F
F
|
Ki |
= |
26.0 |
nM |
406.36 |
COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)c(=O)c12 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4780038 |
OBDepict
CH
3
N
H
H
3
C
H
O
N
N
N
O
Cl
Cl
|
Ki |
= |
26.0 |
nM |
391.26 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(Cl)cc(Cl)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4782204 |
OBDepict
CH
3
O
N
O
N
N
N
H
O
H
3
C
H
F
O
F
F
F
|
Ki |
= |
33.0 |
nM |
440.35 |
COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3F)c(=O)c12 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4796493 |
OBDepict
CH
3
O
N
O
N
N
N
H
O
H
3
C
H
O
F
F
F
|
Ki |
= |
33.0 |
nM |
422.36 |
COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)c12 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4776329 |
OBDepict
O
HN
N
CH
3
H
N
N
O
CH
3
H
3
C
F
|
Ki |
= |
39.0 |
nM |
354.39 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(F)cc3c2=O)c(C)c1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4776988 |
OBDepict
O
HN
N
CH
3
H
N
N
O
O
F
F
F
F
|
Ki |
= |
42.0 |
nM |
410.33 |
C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)(F)F)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4778172 |
OBDepict
CH
3
O
N
O
N
N
HN
O
CH
3
H
CH
3
|
Ki |
= |
48.0 |
nM |
352.39 |
COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c12 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4780801 |
OBDepict
CH
3
O
N
O
N
N
N
H
O
CH
3
H
H
3
C
|
Ki |
= |
58.0 |
nM |
352.39 |
COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c2c1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4781729 |
OBDepict
O
HN
N
CH
3
H
N
N
O
CH
3
H
3
C
|
Ki |
= |
63.0 |
nM |
336.4 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)c(C)c1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4789791 |
OBDepict
CH
3
N
H
CH
3
H
O
N
N
N
O
H
3
C
|
Ki |
= |
72.0 |
nM |
336.4 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(C)cccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4791752 |
OBDepict
O
HN
N
CH
3
H
N
N
O
F
H
3
C
F
|
Ki |
= |
77.0 |
nM |
358.35 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(F)cc3c2=O)c(F)c1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4797410 |
OBDepict
CH
3
N
H
H
3
C
H
O
N
N
N
O
F
CH
3
|
Ki |
= |
85.0 |
nM |
354.39 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(F)cc(C)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4798933 |
OBDepict
O
NH
N
H
3
C
H
N
N
O
CH
3
CH
3
|
Ki |
= |
92.0 |
nM |
336.4 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3cccc(C)c3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4780121 |
OBDepict
O
HN
N
CH
3
H
N
N
O
F
O
F
F
F
F
|
Ki |
= |
93.0 |
nM |
428.32 |
C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)(F)F)cc1F |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4797857 |
OBDepict
O
NH
N
H
3
C
H
N
N
O
F
F
F
F
|
Ki |
= |
106.0 |
nM |
394.33 |
C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4787761 |
OBDepict
O
NH
N
H
3
C
H
N
N
O
CH
3
Cl
|
Ki |
= |
110.0 |
nM |
356.81 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(Cl)cccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4794046 |
OBDepict
CH
3
O
N
O
N
N
N
H
O
CH
3
H
F
F
F
|
Ki |
= |
115.0 |
nM |
406.36 |
COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)c(=O)c2c1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4779773 |
OBDepict
O
HN
N
CH
3
H
N
N
O
O
F
F
F
|
Ki |
= |
119.0 |
nM |
392.34 |
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4783626 |
OBDepict
CH
3
O
N
O
N
N
N
H
O
H
3
C
H
O
F
F
|
Ki |
= |
120.0 |
nM |
404.37 |
COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)F)cc3)c(=O)c12 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4785741 |
OBDepict
O
HN
N
CH
3
H
N
N
O
F
O
F
F
F
|
Ki |
= |
120.0 |
nM |
410.33 |
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1F |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4788013 |
OBDepict
CH
3
O
N
O
N
N
N
H
O
CH
3
H
O
F
F
F
|
Ki |
= |
128.0 |
nM |
422.36 |
COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)c2c1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4779855 |
OBDepict
O
NH
N
H
3
C
H
N
N
O
F
F
F
|
Ki |
= |
148.0 |
nM |
376.34 |
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4791792 |
OBDepict
O
NH
N
H
3
C
H
N
N
O
F
F
F
F
|
Ki |
= |
152.0 |
nM |
394.33 |
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1F |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4789475 |
OBDepict
O
HN
N
CH
3
H
N
N
O
F
H
3
C
|
Ki |
= |
171.0 |
nM |
340.36 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)c(F)c1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4778124 |
OBDepict
CH
3
N
H
CH
3
H
O
N
N
N
O
Cl
|
Ki |
= |
173.0 |
nM |
356.81 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3cc(Cl)ccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4795005 |
OBDepict
CH
3
O
N
H
CH
3
H
O
N
N
N
O
CH
3
H
3
C
|
Ki |
= |
179.0 |
nM |
366.42 |
COc1ccc([C@H](C)NC(=O)Cn2nnc3c(C)cc(C)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4786722 |
OBDepict
CH
3
N
H
CH
3
H
O
N
N
N
O
CH
3
|
Ki |
= |
179.0 |
nM |
336.4 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(C)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4777630 |
OBDepict
O
HN
N
CH
3
H
N
N
O
H
3
C
F
|
Ki |
= |
182.0 |
nM |
340.36 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(F)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4783365 |
OBDepict
CH
3
N
H
H
O
N
O
N
N
O
F
F
F
|
Ki |
= |
183.0 |
nM |
406.36 |
CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4778561 |
OBDepict
O
HN
N
CH
3
H
N
N
O
H
3
C
Cl
|
Ki |
= |
189.0 |
nM |
356.81 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(Cl)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4784744 |
OBDepict
CH
3
O
N
H
CH
3
H
O
N
N
N
O
Cl
Cl
|
Ki |
= |
190.0 |
nM |
407.26 |
COc1ccc([C@H](C)NC(=O)Cn2nnc3c(Cl)cc(Cl)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4781754 |
OBDepict
CH
3
N
H
H
O
N
N
F
F
F
N
O
|
Ki |
= |
214.0 |
nM |
390.37 |
CC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4778354 |
OBDepict
CH
3
O
N
N
O
N
N
H
O
CH
3
H
O
F
F
F
|
Ki |
= |
218.0 |
nM |
422.36 |
COc1ccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nnc2c1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4798779 |
OBDepict
O
HN
N
CH
3
H
N
N
O
Cl
|
Ki |
= |
228.0 |
nM |
342.79 |
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4779884 |
OBDepict
CH
3
O
N
N
N
O
N
H
O
CH
3
H
O
F
F
F
|
Ki |
= |
240.0 |
nM |
422.36 |
COc1cccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nnc12 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4782619 |
OBDepict
O
NH
N
H
3
C
H
N
N
O
O
F
F
F
|
Ki |
= |
282.0 |
nM |
392.34 |
C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)F)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4789079 |
OBDepict
CH
3
N
H
CH
3
H
O
N
N
N
O
H
3
C
|
Ki |
= |
347.0 |
nM |
336.4 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3cc(C)ccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4781805 |
OBDepict
CH
3
O
N
N
N
O
N
H
O
CH
3
H
F
F
F
|
Ki |
= |
352.0 |
nM |
406.36 |
COc1cccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)nnc12 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4785980 |
OBDepict
CH
3
O
N
N
O
N
N
H
O
H
3
C
H
F
F
F
|
Ki |
= |
375.0 |
nM |
406.36 |
COc1ccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)nnc2c1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4797979 |
OBDepict
O
NH
N
H
3
C
H
N
N
O
CH
3
F
F
F
|
Ki |
= |
435.0 |
nM |
390.37 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(C(F)(F)F)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4783071 |
OBDepict
CH
3
O
N
N
O
N
N
H
O
CH
3
H
H
3
C
|
Ki |
= |
437.0 |
nM |
352.39 |
COc1ccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nnc2c1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4778563 |
OBDepict
O
NH
N
H
3
C
H
N
N
O
F
CH
3
|
Ki |
= |
459.0 |
nM |
340.36 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3cccc(F)c3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4798863 |
OBDepict
O
HN
N
CH
3
H
N
N
O
H
3
C
|
Ki |
= |
467.0 |
nM |
322.37 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4776509 |
OBDepict
O
HN
N
CH
3
H
N
N
O
Br
|
Ki |
= |
486.0 |
nM |
387.24 |
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Br)cc1 |
Homo sapiens |
CHEMBL4810044 |
cell membrane format |
CHEMBL4785669 |
OBDepict
CH
3
O
N
H
CH
3
H
O
N
N
N
O
CH
3
|
Ki |
= |
526.0 |
nM |
352.39 |
COc1ccc([C@H](C)NC(=O)Cn2nnc3c(C)cccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4792561 |
OBDepict
CH
3
O
N
H
CH
3
H
O
N
N
N
O
CH
3
|
Ki |
= |
533.0 |
nM |
352.39 |
COc1ccc([C@H](C)NC(=O)Cn2nnc3cccc(C)c3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4796061 |
OBDepict
CH
3
O
N
H
CH
3
H
O
N
N
N
O
Cl
|
Ki |
= |
551.0 |
nM |
372.81 |
COc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(Cl)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4794908 |
OBDepict
CH
3
O
N
H
CH
3
H
O
N
N
N
O
O
H
3
C
|
Ki |
= |
619.0 |
nM |
368.39 |
COc1ccc([C@H](C)NC(=O)Cn2nnc3cccc(OC)c3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4790968 |
OBDepict
O
HN
N
CH
3
H
N
N
O
O
F
F
|
Ki |
= |
677.0 |
nM |
374.35 |
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)F)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4779481 |
OBDepict
O
NH
N
H
3
C
H
N
N
O
CH
3
F
|
Ki |
= |
708.0 |
nM |
340.36 |
Cc1ccc([C@H](C)NC(=O)Cn2nnc3c(F)cccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4847108 |
OBDepict
O
N
H
N
CH
3
N
H
3
C
H
N
O
CH
3
|
Ki |
= |
714.0 |
nM |
336.4 |
Cc1ccc([C@H](C)NC(=O)C(C)n2nnc3ccccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4810044 |
cell membrane format |
CHEMBL4783106 |
OBDepict
CH
3
O
N
N
N
O
N
H
O
CH
3
H
H
3
C
|
Ki |
= |
791.0 |
nM |
352.39 |
COc1cccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nnc12 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4873905 |
OBDepict
CH
3
O
N
H
CH
3
H
O
N
N
N
O
|
Ki |
= |
802.0 |
nM |
352.39 |
COc1ccc(C[C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4810044 |
cell membrane format |
CHEMBL4788831 |
OBDepict
CH
3
O
N
H
CH
3
H
O
N
N
N
O
Cl
|
Ki |
= |
842.0 |
nM |
372.81 |
COc1ccc([C@H](C)NC(=O)Cn2nnc3c(Cl)cccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4871506 |
OBDepict
CH
3
O
HN
CH
3
H
O
N
CH
3
N
N
O
|
Ki |
= |
869.0 |
nM |
352.39 |
COc1ccc([C@H](C)NC(=O)C(C)n2nnc3ccccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4810044 |
cell membrane format |
CHEMBL4795372 |
OBDepict
CH
3
O
N
H
CH
3
H
O
N
N
N
O
F
|
Ki |
= |
909.0 |
nM |
356.36 |
COc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(F)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4781651 |
OBDepict
CH
3
O
N
H
CH
3
H
O
N
N
N
O
H
3
C
|
Ki |
= |
915.0 |
nM |
352.39 |
COc1ccc([C@H](C)NC(=O)Cn2nnc3ccc(C)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |
CHEMBL4783081 |
OBDepict
CH
3
O
N
H
H
3
C
H
O
N
N
N
O
|
Ki |
= |
953.0 |
nM |
352.39 |
CCOc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1 |
Homo sapiens |
CHEMBL4742408 |
cell membrane format |