molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4868141 |
|
IC50 |
= |
-35000.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804393 |
cell-based format |
CHEMBL4855730 |
OBDepict
F
NH
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-31300.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804393 |
cell-based format |
CHEMBL4859660 |
OBDepict
NH
2
N
F
+
N
O
NH
O
_
O
|
IC50 |
= |
-19000.0 |
nM |
378.36 |
Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804393 |
cell-based format |
CHEMBL4860979 |
OBDepict
F
S
N
O
O
CH
3
N
H
2
N
O
N
H
|
IC50 |
= |
-5800.0 |
nM |
466.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 |
Homo sapiens |
CHEMBL4804393 |
cell-based format |
CHEMBL3681007 |
OBDepict
H
2
N
N
N
H
S
N
CH
3
S
F
O
O
NH
2
|
IC50 |
= |
7.0 |
nM |
327.37 |
Cc1[nH]nc(N)c1-c1nc2cc(F)c(S(N)(=O)=O)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685712 |
OBDepict
NH
2
N
H
N
H
2
N
N
S
|
IC50 |
= |
10.0 |
nM |
273.37 |
NCCCc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681013 |
OBDepict
H
2
N
N
N
H
N
S
CH
3
S
O
O
NH
2
|
IC50 |
= |
10.0 |
nM |
309.38 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(N)(=O)=O)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685727 |
OBDepict
NH
2
N
H
N
H
N
H
2
N
N
S
|
IC50 |
= |
20.0 |
nM |
274.35 |
NCCNc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3639798 |
OBDepict
H
2
N
N
H
N
S
N
S
F
O
O
NH
2
|
IC50 |
= |
20.0 |
nM |
313.34 |
Nc1[nH]ncc1-c1nc2cc(F)c(S(N)(=O)=O)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685682 |
OBDepict
CH
3
N
H
N
H
N
H
2
N
N
S
|
IC50 |
= |
20.0 |
nM |
287.39 |
CNCCCc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3732995 |
OBDepict
H
3
C
NH
O
HN
S
O
O
S
N
H
3
C
N
NH
2
N
H
|
IC50 |
= |
30.0 |
nM |
366.43 |
CC(=O)NNS(=O)(=O)c1ccc2nc(-c3c(C)n[nH]c3N)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681005 |
OBDepict
H
2
N
N
N
H
S
N
CH
3
F
S
O
O
NH
2
|
IC50 |
= |
40.0 |
nM |
327.37 |
Cc1[nH]nc(N)c1-c1nc2c(F)cc(S(N)(=O)=O)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685652 |
OBDepict
H
3
C
O
F
S
N
N
H
2
N
N
O
H
|
IC50 |
= |
40.0 |
nM |
330.34 |
COc1cc2sc(-c3c(-c4ccco4)n[nH]c3N)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3680995 |
OBDepict
CH
3
HN
S
O
O
F
S
N
NH
2
N
H
3
C
N
H
|
IC50 |
= |
40.0 |
nM |
341.39 |
CNS(=O)(=O)c1cc2sc(-c3c(N)n[nH]c3C)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685661 |
OBDepict
F
N
S
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
40.0 |
nM |
248.29 |
Cc1[nH]nc(N)c1-c1nc2cc(F)ccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681027 |
OBDepict
H
2
N
N
N
H
N
S
CH
3
S
NH
O
O
N
|
IC50 |
= |
40.0 |
nM |
400.49 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCc3ccncc3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685659 |
OBDepict
F
CH
3
N
S
N
NH
2
N
H
|
IC50 |
= |
50.0 |
nM |
248.29 |
Cc1cc2sc(-c3cn[nH]c3N)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681008 |
OBDepict
OH
NH
S
O
O
F
S
N
NH
2
N
H
3
C
N
H
|
IC50 |
= |
50.0 |
nM |
371.42 |
Cc1[nH]nc(N)c1-c1nc2cc(F)c(S(=O)(=O)NCCO)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685631 |
OBDepict
H
N
N
NH
2
N
S
N
S
O
O
NH
2
|
IC50 |
= |
50.0 |
nM |
372.44 |
Nc1[nH]nc(-c2ccncc2)c1-c1nc2ccc(S(N)(=O)=O)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685693 |
OBDepict
H
N
N
H
2
N
N
S
N
H
|
IC50 |
= |
60.0 |
nM |
299.4 |
Nc1n[nH]c(C2CCNCC2)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681004 |
OBDepict
CH
3
HN
S
O
O
S
N
N
NH
2
N
H
|
IC50 |
= |
60.0 |
nM |
309.38 |
CNS(=O)(=O)c1ccc2nc(-c3cn[nH]c3N)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3680994 |
OBDepict
CH
3
O
O
F
S
N
NH
2
N
CH
3
N
H
|
IC50 |
= |
60.0 |
nM |
306.32 |
COC(=O)c1cc2sc(-c3c(N)n[nH]c3C)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685654 |
OBDepict
H
3
C
O
F
S
N
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
60.0 |
nM |
278.31 |
COc1cc2sc(-c3c(N)n[nH]c3C)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3680998 |
OBDepict
CH
3
HN
S
O
O
S
N
H
2
N
N
CH
3
N
H
|
IC50 |
= |
70.0 |
nM |
323.4 |
CNS(=O)(=O)c1ccc2nc(-c3c(N)n[nH]c3C)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3680993 |
OBDepict
H
N
N
H
3
C
H
2
N
N
S
F
S
F
F
O
O
H
2
N
|
IC50 |
= |
70.0 |
nM |
363.35 |
Cc1[nH]nc(N)c1-c1nc2c(F)c(F)c(F)c(S(N)(=O)=O)c2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685656 |
OBDepict
H
3
C
O
F
S
N
H
2
N
N
N
N
H
N
H
|
IC50 |
= |
70.0 |
nM |
348.41 |
COc1cc2sc(-c3c(N)n[nH]c3N3CCNCC3)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681024 |
OBDepict
H
2
N
N
N
H
N
S
CH
3
S
NH
O
O
F
F
F
|
IC50 |
= |
90.0 |
nM |
391.4 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685653 |
OBDepict
H
3
C
O
F
S
N
N
H
2
N
N
O
H
N
|
IC50 |
= |
100.0 |
nM |
331.33 |
COc1cc2sc(-c3c(-c4ccno4)n[nH]c3N)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685713 |
OBDepict
H
2
N
N
N
H
N
S
H
2
N
|
IC50 |
= |
100.0 |
nM |
307.38 |
Nc1ccc(-c2n[nH]c(N)c2-c2nc3ccccc3s2)cc1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685688 |
OBDepict
H
N
N
H
2
N
O
N
S
|
IC50 |
= |
100.0 |
nM |
282.33 |
Nc1[nH]nc(-c2ccco2)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685684 |
OBDepict
CH
3
HN
N
H
N
H
2
N
N
S
|
IC50 |
= |
100.0 |
nM |
301.42 |
CNCCCCc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3680988 |
OBDepict
HO
F
S
N
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
100.0 |
nM |
278.31 |
Cc1[nH]nc(N)c1-c1nc2cc(F)c(CO)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685695 |
OBDepict
H
N
N
H
2
N
N
S
N
|
IC50 |
= |
100.0 |
nM |
293.36 |
Nc1[nH]nc(-c2ccncc2)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685634 |
OBDepict
OH
N
H
S
N
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
100.0 |
nM |
303.39 |
Cc1[nH]nc(N)c1-c1nc2ccc(CNCCO)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681009 |
OBDepict
F
S
N
NH
O
O
N
S
H
2
N
N
CH
3
N
H
|
IC50 |
= |
130.0 |
nM |
418.48 |
Cc1[nH]nc(N)c1-c1nc2cc(F)c(S(=O)(=O)NCc3ccncc3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681006 |
OBDepict
HO
N
H
S
O
O
F
N
S
NH
2
N
CH
3
N
H
|
IC50 |
= |
150.0 |
nM |
371.42 |
Cc1[nH]nc(N)c1-c1nc2c(S(=O)(=O)NCCO)c(F)ccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685701 |
OBDepict
CH
3
N
H
N
H
N
H
N
H
2
N
N
S
|
IC50 |
= |
150.0 |
nM |
302.41 |
CCNCCNc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685692 |
OBDepict
H
N
N
N
H
2
N
N
S
N
H
|
IC50 |
= |
190.0 |
nM |
300.39 |
Nc1n[nH]c(N2CCNCC2)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681010 |
OBDepict
HO
N
S
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
200.0 |
nM |
246.29 |
Cc1[nH]nc(N)c1-c1nc2cc(O)ccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681025 |
OBDepict
H
N
N
HN
S
O
O
S
N
NH
2
N
H
3
C
N
H
|
IC50 |
= |
200.0 |
nM |
403.49 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCCc3cnc[nH]3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685664 |
OBDepict
Br
F
S
N
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
200.0 |
nM |
327.18 |
Cc1[nH]nc(N)c1-c1nc2cc(F)c(Br)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685668 |
OBDepict
H
3
C
N
CH
3
S
N
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
200.0 |
nM |
287.39 |
Cc1[nH]nc(N)c1-c1nc2ccc(CN(C)C)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685669 |
OBDepict
F
S
N
N
H
2
N
N
H
|
IC50 |
= |
200.0 |
nM |
234.26 |
Nc1[nH]ncc1-c1nc2ccc(F)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685673 |
OBDepict
CH
3
O
S
N
NH
2
N
N
N
H
N
H
|
IC50 |
= |
200.0 |
nM |
330.42 |
COc1ccc2nc(-c3c(N)n[nH]c3N3CCNCC3)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685635 |
OBDepict
OH
N
H
N
H
2
N
N
S
|
IC50 |
= |
200.0 |
nM |
274.35 |
Nc1n[nH]c(CCCO)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685658 |
OBDepict
CH
3
O
F
S
N
NH
2
N
N
H
N
H
N
N
H
|
IC50 |
= |
200.0 |
nM |
373.42 |
COc1cc2sc(-c3c(N)n[nH]c3NCCc3cnc[nH]3)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681022 |
OBDepict
NH
2
HN
S
O
O
S
N
NH
2
N
H
3
C
N
H
|
IC50 |
= |
200.0 |
nM |
428.54 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCCc3ccc(N)cc3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685715 |
OBDepict
F
F
S
F
N
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
200.0 |
nM |
284.27 |
Cc1[nH]nc(N)c1-c1nc2c(F)c(F)c(F)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685657 |
OBDepict
CH
3
O
F
S
N
N
NH
2
N
H
N
|
IC50 |
= |
200.0 |
nM |
341.37 |
COc1cc2sc(-c3c(-c4ccncc4)n[nH]c3N)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3680986 |
OBDepict
H
N
N
HN
N
S
N
N
H
|
IC50 |
= |
200.0 |
nM |
310.39 |
c1ccc2sc(-c3cn[nH]c3NCCc3cnc[nH]3)nc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681014 |
OBDepict
OH
NH
S
O
O
S
N
NH
2
N
H
3
C
N
H
|
IC50 |
= |
200.0 |
nM |
353.43 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCCO)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685729 |
OBDepict
CH
3
O
F
S
N
NH
2
N
NH
N
H
N
H
3
C
H
3
C
|
IC50 |
= |
200.0 |
nM |
364.45 |
COc1cc2sc(-c3c(N)n[nH]c3NCCCN(C)C)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685681 |
OBDepict
H
3
C
N
H
3
C
N
H
N
H
2
N
N
S
|
IC50 |
= |
200.0 |
nM |
301.42 |
CN(C)CCCc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685628 |
OBDepict
H
3
C
N
CH
3
NH
S
O
O
S
N
NH
2
N
H
3
C
N
H
|
IC50 |
= |
300.0 |
nM |
380.5 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCCN(C)C)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685660 |
OBDepict
F
CH
3
N
S
NH
2
N
CH
3
N
H
|
IC50 |
= |
300.0 |
nM |
262.31 |
Cc1cc2sc(-c3c(N)n[nH]c3C)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681012 |
OBDepict
NH
2
O
S
N
NH
2
N
CH
3
N
H
|
IC50 |
= |
300.0 |
nM |
273.32 |
Cc1[nH]nc(N)c1-c1nc2ccc(C(N)=O)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685666 |
OBDepict
Cl
S
N
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
300.0 |
nM |
264.74 |
Cc1[nH]nc(N)c1-c1nc2ccc(Cl)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3680997 |
OBDepict
CH
3
O
O
S
N
NH
2
N
CH
3
N
H
|
IC50 |
= |
300.0 |
nM |
288.33 |
COC(=O)c1ccc2nc(-c3c(N)n[nH]c3C)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685679 |
OBDepict
H
N
N
NH
2
N
S
|
IC50 |
= |
300.0 |
nM |
216.27 |
Nc1[nH]ncc1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685704 |
OBDepict
H
3
C
N
H
3
C
N
H
N
H
N
NH
2
N
S
|
IC50 |
= |
300.0 |
nM |
316.43 |
CN(C)CCCNc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685728 |
OBDepict
H
3
C
O
F
S
N
H
2
N
N
HN
N
H
N
H
3
C
CH
3
|
IC50 |
= |
300.0 |
nM |
350.42 |
COc1cc2sc(-c3c(N)n[nH]c3NCCN(C)C)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685689 |
OBDepict
H
N
N
H
3
C
H
2
N
N
S
|
IC50 |
= |
300.0 |
nM |
230.3 |
Cc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685651 |
OBDepict
CH
3
O
F
S
N
N
NH
2
N
O
H
+
N
O
_
O
|
IC50 |
= |
300.0 |
nM |
375.34 |
COc1cc2sc(-c3c(-c4ccc([N+](=O)[O-])o4)n[nH]c3N)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685672 |
OBDepict
CH
3
O
S
N
NH
2
N
CH
3
N
H
|
IC50 |
= |
340.0 |
nM |
260.32 |
COc1ccc2nc(-c3c(N)n[nH]c3C)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685683 |
OBDepict
H
3
C
N
H
3
C
N
H
N
NH
2
N
S
|
IC50 |
= |
400.0 |
nM |
315.45 |
CN(C)CCCCc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685636 |
OBDepict
OH
HN
N
H
N
H
2
N
N
S
|
IC50 |
= |
400.0 |
nM |
289.36 |
Nc1n[nH]c(NCCCO)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685722 |
OBDepict
CH
3
N
H
O
S
N
NH
2
N
CH
3
N
H
|
IC50 |
= |
400.0 |
nM |
287.35 |
CC(=O)Nc1ccc2nc(-c3c(N)n[nH]c3C)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685665 |
OBDepict
Br
S
N
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
400.0 |
nM |
309.19 |
Cc1[nH]nc(N)c1-c1nc2ccc(Br)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685670 |
OBDepict
F
S
N
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
400.0 |
nM |
248.29 |
Cc1[nH]nc(N)c1-c1nc2ccc(F)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685676 |
OBDepict
CH
3
O
F
Cl
S
N
NH
2
N
CH
3
N
H
|
IC50 |
= |
400.0 |
nM |
312.76 |
COc1c(F)cc2nc(-c3c(N)n[nH]c3C)sc2c1Cl |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685641 |
OBDepict
H
2
N
N
N
H
S
N
H
3
C
F
|
IC50 |
= |
400.0 |
nM |
248.29 |
Cc1[nH]nc(N)c1-c1nc2c(F)cccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685632 |
OBDepict
OH
N
H
N
H
N
H
2
N
N
S
|
IC50 |
= |
400.0 |
nM |
275.34 |
Nc1n[nH]c(NCCO)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681003 |
OBDepict
NH
2
S
N
N
NH
2
N
H
|
IC50 |
= |
500.0 |
nM |
231.28 |
Nc1ccc2nc(-c3cn[nH]c3N)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685717 |
OBDepict
CH
3
N
H
S
N
NH
2
N
CH
3
N
H
|
IC50 |
= |
500.0 |
nM |
273.37 |
CNCc1ccc2nc(-c3c(N)n[nH]c3C)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685718 |
OBDepict
H
2
N
N
N
H
N
S
H
3
C
N
O
|
IC50 |
= |
500.0 |
nM |
329.43 |
Cc1[nH]nc(N)c1-c1nc2ccc(CN3CCOCC3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685637 |
OBDepict
HO
NH
N
H
N
NH
2
S
N
O
F
CH
3
|
IC50 |
= |
500.0 |
nM |
337.38 |
COc1cc2sc(-c3c(N)n[nH]c3NCCCO)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685700 |
OBDepict
H
3
C
N
H
3
C
N
H
N
H
N
H
2
N
N
S
|
IC50 |
= |
500.0 |
nM |
302.41 |
CN(C)CCNc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685705 |
OBDepict
H
N
N
N
H
H
2
N
N
S
N
N
|
IC50 |
= |
500.0 |
nM |
339.43 |
Nc1n[nH]c(NCCCn2ccnc2)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685671 |
OBDepict
H
2
N
N
N
H
N
S
CH
3
S
O
O
CH
3
|
IC50 |
= |
500.0 |
nM |
308.39 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(C)(=O)=O)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3680992 |
OBDepict
H
N
N
N
S
S
O
O
NH
2
|
IC50 |
= |
500.0 |
nM |
280.33 |
NS(=O)(=O)c1ccc2nc(-c3cn[nH]c3)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685731 |
OBDepict
CH
3
O
S
N
NH
2
N
N
H
N
H
N
N
H
|
IC50 |
= |
600.0 |
nM |
355.43 |
COc1ccc2nc(-c3c(N)n[nH]c3NCCc3cnc[nH]3)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685667 |
OBDepict
H
3
C
N
CH
3
F
S
N
H
2
N
N
H
3
C
N
H
|
IC50 |
= |
600.0 |
nM |
305.38 |
Cc1[nH]nc(N)c1-c1nc2cc(F)c(CN(C)C)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681026 |
OBDepict
NH
2
HN
S
O
O
S
N
NH
2
N
H
3
C
N
H
|
IC50 |
= |
600.0 |
nM |
414.52 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCc3ccc(N)cc3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681015 |
OBDepict
CH
3
O
HN
S
O
O
S
N
H
2
N
N
CH
3
N
H
|
IC50 |
= |
600.0 |
nM |
367.46 |
COCCNS(=O)(=O)c1ccc2nc(-c3c(N)n[nH]c3C)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685686 |
OBDepict
H
N
N
NH
2
N
S
|
IC50 |
= |
600.0 |
nM |
256.33 |
Nc1n[nH]c(C2CC2)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685694 |
OBDepict
H
N
N
H
2
N
N
S
N
|
IC50 |
= |
600.0 |
nM |
293.36 |
Nc1[nH]nc(-c2cccnc2)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL1830587 |
OBDepict
CH
3
N
H
O
N
N
N
HN
F
F
F
|
IC50 |
= |
600.0 |
nM |
533.6 |
CNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(N3CCNCC3)cc2)n1 |
Homo sapiens |
CHEMBL1832067 |
single protein format |
CHEMBL3685732 |
OBDepict
NH
2
N
N
H
N
S
H
3
C
S
HN
O
O
|
IC50 |
= |
700.0 |
nM |
363.47 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCC3CC3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681000 |
OBDepict
CH
3
O
O
S
N
NH
2
N
CH
3
N
H
|
IC50 |
= |
700.0 |
nM |
288.33 |
COC(=O)c1cccc2nc(-c3c(N)n[nH]c3C)sc12 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685725 |
OBDepict
H
3
C
NH
O
HN
S
O
O
S
N
H
2
N
N
CH
3
N
H
|
IC50 |
= |
700.0 |
nM |
394.48 |
CC(=O)NCCNS(=O)(=O)c1ccc2nc(-c3c(N)n[nH]c3C)sc2c1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685733 |
OBDepict
H
3
C
O
F
S
N
N
H
2
N
N
S
H
|
IC50 |
= |
700.0 |
nM |
346.41 |
COc1cc2sc(-c3c(-c4cccs4)n[nH]c3N)nc2cc1F |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685702 |
OBDepict
CH
3
O
HN
N
H
N
H
2
N
N
S
|
IC50 |
= |
700.0 |
nM |
289.36 |
COCCNc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685680 |
OBDepict
H
N
N
H
2
N
H
2
N
N
S
|
IC50 |
= |
700.0 |
nM |
231.28 |
Nc1n[nH]c(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685687 |
OBDepict
CH
3
N
H
N
H
2
N
N
S
|
IC50 |
= |
800.0 |
nM |
244.32 |
CCc1[nH]nc(N)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681021 |
OBDepict
H
2
N
N
N
H
N
S
CH
3
S
NH
O
O
|
IC50 |
= |
800.0 |
nM |
413.53 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681020 |
OBDepict
H
2
N
N
N
H
N
S
CH
3
S
NH
O
O
|
IC50 |
= |
800.0 |
nM |
399.5 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCc3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685638 |
OBDepict
H
2
N
N
N
H
N
S
H
3
C
N
H
S
O
O
H
2
N
|
IC50 |
= |
800.0 |
nM |
414.52 |
Cc1[nH]nc(N)c1-c1nc2ccc(CNc3cccc(S(N)(=O)=O)c3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3730049 |
OBDepict
H
3
C
N
N
H
N
S
NH
2
S
NH
O
O
HN
|
IC50 |
= |
900.0 |
nM |
400.49 |
Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NNc3ccccc3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3681018 |
OBDepict
Cl
HN
S
O
O
S
N
NH
2
N
H
3
C
N
H
|
IC50 |
= |
900.0 |
nM |
433.95 |
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |
CHEMBL3685691 |
OBDepict
H
N
N
H
2
N
N
S
|
IC50 |
= |
900.0 |
nM |
292.37 |
Nc1[nH]nc(-c2ccccc2)c1-c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3734121 |
cell-based format |