molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4095957 |
|
Ki |
= |
0.19 |
nM |
424.48 |
NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3[C@@H]2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4015665 |
single protein format |
CHEMBL4470319 |
OBDepict
O
N
H
N
O
N
H
O
Se
S
O
O
NH
2
|
Ki |
= |
0.2 |
nM |
549.51 |
NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2)cc1 |
Homo sapiens |
CHEMBL4353554 |
single protein format |
CHEMBL4100218 |
OBDepict
O
N
S
HO
O
O
NH
2
HO
|
Ki |
= |
0.2 |
nM |
424.48 |
NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4015665 |
single protein format |
CHEMBL4068642 |
OBDepict
O
N
H
S
HO
O
O
NH
2
HO
|
Ki |
= |
0.21 |
nM |
424.48 |
NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3[C@H]2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4015665 |
single protein format |
CHEMBL406 |
OBDepict
CH
3
N
N
H
O
S
Cl
O
O
NH
2
|
Ki |
= |
0.23 |
nM |
365.84 |
CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 |
Homo sapiens |
CHEMBL1029736 |
single protein format |
CHEMBL273977 |
OBDepict
_
O
S
N
H
O
O
+
Na
|
Ki |
= |
0.24 |
nM |
201.22 |
O=S(=O)([O-])NC1CCCCC1.[Na+] |
Homo sapiens |
CHEMBL3755043 |
single protein format |
CHEMBL3752046 |
OBDepict
CH
3
O
O
HN
H
CH
3
H
3
C
S
N
H
O
O
F
|
Ki |
= |
0.24 |
nM |
318.37 |
COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C |
Homo sapiens |
CHEMBL3755043 |
single protein format |
CHEMBL4171524 |
OBDepict
NH
2
S
O
O
Se
|
Ki |
= |
0.24 |
nM |
318.3 |
NS(=O)(=O)c1ccc([Se]C2CCCCC2)cc1 |
Homo sapiens |
CHEMBL4149855 |
single protein format |
CHEMBL4799997 |
OBDepict
F
F
N
O
N
S
O
O
NH
2
|
Ki |
= |
0.25 |
nM |
353.35 |
NS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3F)C2=O)cc1 |
Homo sapiens |
CHEMBL4736954 |
assay format |
CHEMBL4175369 |
OBDepict
HC
Se
S
O
O
NH
2
|
Ki |
= |
0.25 |
nM |
274.2 |
C#CC[Se]c1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4149855 |
single protein format |
CHEMBL3752852 |
OBDepict
CH
3
O
O
N
H
S
NH
O
O
H
3
C
CH
3
|
Ki |
= |
0.27 |
nM |
238.31 |
COC(=O)CCNS(=O)(=O)NCC(C)C |
Homo sapiens |
CHEMBL3755043 |
single protein format |
CHEMBL4164747 |
OBDepict
CH
2
Se
S
O
O
NH
2
|
Ki |
= |
0.27 |
nM |
276.22 |
C=CC[Se]c1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4149855 |
single protein format |
CHEMBL4165154 |
OBDepict
CH
3
Se
H
3
C
S
O
O
NH
2
|
Ki |
= |
0.28 |
nM |
278.24 |
CC(C)[Se]c1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4149855 |
single protein format |
CHEMBL3752328 |
OBDepict
H
3
C
O
O
HN
H
S
N
H
O
O
F
|
Ki |
= |
0.28 |
nM |
366.41 |
COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1 |
Homo sapiens |
CHEMBL3755043 |
single protein format |
CHEMBL3754185 |
OBDepict
CH
3
HN
S
N
H
O
O
O
O
H
3
C
|
Ki |
= |
0.3 |
nM |
266.36 |
CCCCCCNS(=O)(=O)NCCC(=O)OC |
Homo sapiens |
CHEMBL3755043 |
single protein format |
CHEMBL4453207 |
OBDepict
CH
3
O
Te
S
O
O
NH
2
|
Ki |
= |
0.3 |
nM |
404.95 |
COc1ccc([Te]Cc2ccc(S(N)(=O)=O)cc2)cc1 |
Homo sapiens |
CHEMBL4813210 |
single protein format |
CHEMBL3741601 |
OBDepict
O
N
O
N
H
O
S
O
O
NH
2
O
HO
|
Ki |
= |
0.31 |
nM |
493.5 |
NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1 |
Homo sapiens |
CHEMBL3745427 |
single protein format |
CHEMBL3754060 |
OBDepict
CH
3
O
O
N
H
S
NH
O
O
H
3
C
|
Ki |
= |
0.31 |
nM |
286.35 |
COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1 |
Homo sapiens |
CHEMBL3755043 |
single protein format |
CHEMBL4159208 |
OBDepict
NH
2
S
O
O
Se
|
Ki |
= |
0.31 |
nM |
340.31 |
NS(=O)(=O)c1ccc([Se]CCc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4149855 |
single protein format |
CHEMBL4099267 |
OBDepict
Br
N
O
HO
HO
S
O
O
NH
2
|
Ki |
= |
0.33 |
nM |
503.37 |
NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2c2ccc(Br)cc2)cc1 |
Homo sapiens |
CHEMBL4015665 |
single protein format |
CHEMBL4162168 |
OBDepict
H
3
C
CH
3
HN
H
S
Se
O
O
H
3
C
S
O
O
H
2
N
|
Ki |
= |
0.35 |
nM |
475.49 |
Cc1ccc(S(=O)(=O)N[C@H](C[Se]c2ccc(S(N)(=O)=O)cc2)C(C)C)cc1 |
Homo sapiens |
CHEMBL4136602 |
single protein format |
CHEMBL3742377 |
OBDepict
O
N
O
NH
O
S
O
O
NH
2
O
OH
|
Ki |
= |
0.35 |
nM |
479.47 |
NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1 |
Homo sapiens |
CHEMBL3745427 |
single protein format |
CHEMBL4079453 |
OBDepict
HO
N
O
S
O
O
NH
2
|
Ki |
= |
0.35 |
nM |
408.48 |
NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)ccc3C2c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4015665 |
single protein format |
CHEMBL3752037 |
OBDepict
CH
3
O
O
HN
H
S
N
H
O
O
H
3
C
H
3
C
|
Ki |
= |
0.37 |
nM |
314.41 |
COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C |
Homo sapiens |
CHEMBL3755043 |
single protein format |
CHEMBL4171921 |
OBDepict
CH
3
Se
S
O
O
NH
2
|
Ki |
= |
0.38 |
nM |
306.29 |
CCCCC[Se]c1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4149855 |
single protein format |
CHEMBL4545711 |
OBDepict
O
N
H
NH
N
S
N
S
O
O
NH
2
Cl
F
F
F
|
Ki |
= |
0.38 |
nM |
401.78 |
NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 |
Homo sapiens |
CHEMBL4368292 |
single protein format |
CHEMBL3754636 |
OBDepict
CH
3
O
O
HN
H
CH
3
H
3
C
S
N
H
O
O
H
3
C
H
3
C
|
Ki |
= |
0.39 |
nM |
266.36 |
COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C |
Homo sapiens |
CHEMBL3755043 |
single protein format |
CHEMBL4081248 |
OBDepict
Cl
N
O
HO
HO
S
O
O
NH
2
|
Ki |
= |
0.4 |
nM |
458.92 |
NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2c2ccc(Cl)cc2)cc1 |
Homo sapiens |
CHEMBL4015665 |
single protein format |
CHEMBL3754723 |
OBDepict
H
3
C
O
O
N
H
S
N
H
O
O
|
Ki |
= |
0.43 |
nM |
316.42 |
COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |
Homo sapiens |
CHEMBL3755043 |
single protein format |
CHEMBL3752196 |
OBDepict
CH
3
O
O
N
H
S
NH
O
O
F
|
Ki |
= |
0.45 |
nM |
290.32 |
COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1 |
Homo sapiens |
CHEMBL3755043 |
single protein format |
CHEMBL4437968 |
OBDepict
O
N
S
O
O
NH
2
|
Ki |
= |
0.45 |
nM |
344.44 |
NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1 |
Homo sapiens |
CHEMBL4331762 |
single protein format |
CHEMBL73962 |
OBDepict
O
S
HN
O
N
S
N
S
O
O
NH
2
|
Ki |
= |
0.45 |
nM |
320.38 |
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 |
Homo sapiens |
CHEMBL828071 |
single protein format |
CHEMBL3741546 |
OBDepict
O
N
O
N
H
O
S
O
O
NH
2
O
HO
|
Ki |
= |
0.46 |
nM |
465.44 |
NS(=O)(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1 |
Homo sapiens |
CHEMBL3745427 |
single protein format |
CHEMBL4073364 |
OBDepict
F
N
O
HO
HO
S
O
O
NH
2
|
Ki |
= |
0.51 |
nM |
442.47 |
NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(O)cc3C2c2ccc(F)cc2)cc1 |
Homo sapiens |
CHEMBL4015665 |
single protein format |
CHEMBL4071251 |
OBDepict
H
3
C
O
O
CH
3
N
O
F
S
O
O
NH
2
|
Ki |
= |
0.53 |
nM |
470.52 |
COc1cc2c(cc1OC)C(c1ccc(F)cc1)N(C(=O)c1ccc(S(N)(=O)=O)cc1)CC2 |
Homo sapiens |
CHEMBL4015665 |
single protein format |
CHEMBL4532721 |
OBDepict
H
3
C
Te
S
O
O
NH
2
|
Ki |
= |
0.54 |
nM |
388.95 |
Cc1ccc([Te]Cc2ccc(S(N)(=O)=O)cc2)cc1 |
Homo sapiens |
CHEMBL4813210 |
single protein format |
CHEMBL4554983 |
OBDepict
Br
HO
N
O
S
O
O
NH
2
|
Ki |
= |
0.55 |
nM |
439.33 |
NS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)cc1 |
Homo sapiens |
CHEMBL4331762 |
single protein format |
CHEMBL4638601 |
OBDepict
OH
H
O
H
N
H
N
N
N
O
N
CH
3
H
O
O
O
O
|
Ki |
= |
0.6 |
nM |
509.52 |
Cc1cn([C@H]2C[C@H](n3cc(CCCCOc4ccc5ccc(=O)oc5c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O |
Homo sapiens |
CHEMBL4612651 |
single protein format |
CHEMBL4644555 |
OBDepict
OH
H
O
H
N
H
N
N
N
O
N
CH
3
H
O
O
O
O
|
Ki |
= |
0.6 |
nM |
495.49 |
Cc1cn([C@H]2C[C@H](n3cc(CCCOc4ccc5ccc(=O)oc5c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O |
Homo sapiens |
CHEMBL4612651 |
single protein format |
CHEMBL4593188 |
OBDepict
O
N
S
O
O
NH
2
|
Ki |
= |
0.63 |
nM |
358.46 |
NS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 |
Homo sapiens |
CHEMBL4331762 |
single protein format |
CHEMBL4465705 |
OBDepict
N
N
O
S
O
O
NH
2
|
Ki |
= |
0.68 |
nM |
369.45 |
N#CC1(c2ccccc2)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 |
Homo sapiens |
CHEMBL4331762 |
single protein format |
CHEMBL3884217 |
OBDepict
CH
3
O
O
CH
3
H
N
H
O
S
S
O
O
NH
2
|
Ki |
= |
0.68 |
nM |
444.53 |
COc1ccc([C@H]2[C@H](c3cccs3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1OC |
Homo sapiens |
CHEMBL3876602 |
single protein format |
CHEMBL4164295 |
OBDepict
H
CH
2
H
3
C
Se
CH
3
OH
S
O
O
NH
2
|
Ki |
= |
0.68 |
nM |
388.39 |
C=C(C)[C@@H]1CCC(C)(O)C([Se]c2ccc(S(N)(=O)=O)cc2)C1 |
Homo sapiens |
CHEMBL4136602 |
single protein format |
CHEMBL3883491 |
OBDepict
H
3
C
O
O
H
N
CH
3
O
H
CH
3
O
S
O
O
NH
2
|
Ki |
= |
0.7 |
nM |
468.53 |
COc1cc(OC)c([C@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1OC |
Homo sapiens |
CHEMBL3876602 |
single protein format |
CHEMBL4639447 |
OBDepict
OH
H
O
H
N
H
N
N
N
O
N
CH
3
H
O
O
O
O
|
Ki |
= |
0.7 |
nM |
495.49 |
Cc1cn([C@H]2C[C@H](n3cc(CCCOc4ccc5oc(=O)ccc5c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O |
Homo sapiens |
CHEMBL4612651 |
single protein format |
CHEMBL4649280 |
OBDepict
OH
H
O
H
N
H
N
N
N
O
N
CH
3
H
O
O
O
O
|
Ki |
= |
0.7 |
nM |
509.52 |
Cc1cn([C@H]2C[C@H](n3cc(CCCCOc4cc(=O)oc5ccccc45)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O |
Homo sapiens |
CHEMBL4612651 |
single protein format |
CHEMBL4160510 |
OBDepict
OH
Se
O
H
3
C
H
3
C
S
O
O
NH
2
|
Ki |
= |
0.71 |
nM |
352.31 |
CC(C)OCC(O)C[Se]c1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4136602 |
single protein format |
CHEMBL4436769 |
OBDepict
OH
Te
O
CH
3
S
O
O
NH
2
|
Ki |
= |
0.72 |
nM |
449.0 |
Cc1ccccc1[Te]CC(O)COc1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4362414 |
single protein format |
CHEMBL3885230 |
OBDepict
CH
3
O
H
O
N
H
O
O
CH
3
S
CH
3
O
O
NH
2
|
Ki |
= |
0.73 |
nM |
468.53 |
COc1ccc([C@@H]2C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 |
Homo sapiens |
CHEMBL3876602 |
single protein format |
CHEMBL4097153 |
OBDepict
O
N
H
N
N
S
O
O
NH
2
|
Ki |
= |
0.74 |
nM |
374.47 |
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1 |
Homo sapiens |
CHEMBL4010243 |
single protein format |
CHEMBL4587627 |
OBDepict
CH
3
Te
S
O
O
NH
2
|
Ki |
= |
0.76 |
nM |
388.95 |
Cc1ccccc1[Te]Cc1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4813210 |
single protein format |
CHEMBL4098299 |
OBDepict
H
3
C
O
O
CH
3
N
O
Cl
S
O
O
NH
2
|
Ki |
= |
0.77 |
nM |
486.98 |
COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)N(C(=O)c1ccc(S(N)(=O)=O)cc1)CC2 |
Homo sapiens |
CHEMBL4015665 |
single protein format |
CHEMBL4172182 |
OBDepict
OH
Se
S
O
O
NH
2
|
Ki |
= |
0.77 |
nM |
334.3 |
NS(=O)(=O)c1ccc([Se]C2CCCCC2O)cc1 |
Homo sapiens |
CHEMBL4136602 |
single protein format |
CHEMBL4163634 |
OBDepict
H
3
C
O
Se
S
O
O
NH
2
|
Ki |
= |
0.77 |
nM |
294.23 |
COCC[Se]c1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4149855 |
single protein format |
CHEMBL18 |
OBDepict
CH
3
O
S
N
S
O
O
NH
2
|
Ki |
= |
0.78 |
nM |
258.32 |
CCOc1ccc2nc(S(N)(=O)=O)sc2c1 |
Homo sapiens |
CHEMBL828071 |
single protein format |
CHEMBL4535036 |
OBDepict
HO
Te
O
S
O
O
NH
2
|
Ki |
= |
0.78 |
nM |
434.97 |
NS(=O)(=O)c1ccc(OCC(O)C[Te]c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4362414 |
single protein format |
CHEMBL204990 |
OBDepict
O
HN
S
O
O
NH
2
|
Ki |
= |
0.78 |
nM |
322.43 |
NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)C1CCCCC1)C2 |
Homo sapiens |
CHEMBL1009248 |
single protein format |
CHEMBL3885091 |
OBDepict
F
O
F
H
N
H
O
S
O
O
NH
2
|
Ki |
= |
0.8 |
nM |
444.46 |
NS(=O)(=O)c1ccc(N2C(=O)[C@@H](c3ccccc3)[C@@H]2c2ccccc2OC(F)F)cc1 |
Homo sapiens |
CHEMBL3876602 |
single protein format |
CHEMBL4435918 |
OBDepict
O
N
H
N
O
N
H
O
S
O
O
NH
2
|
Ki |
= |
0.8 |
nM |
366.4 |
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 |
Homo sapiens |
CHEMBL4353554 |
single protein format |
CHEMBL4535469 |
OBDepict
OH
Te
O
HO
O
S
O
O
NH
2
S
O
O
H
2
N
|
Ki |
= |
0.8 |
nM |
588.13 |
NS(=O)(=O)c1ccc(OCC(O)C[Te]CC(O)COc2ccc(S(N)(=O)=O)cc2)cc1 |
Homo sapiens |
CHEMBL4362414 |
single protein format |
CHEMBL4473062 |
OBDepict
O
N
H
N
O
N
H
O
S
O
O
NH
2
|
Ki |
= |
0.8 |
nM |
394.45 |
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 |
Homo sapiens |
CHEMBL4353554 |
single protein format |
CHEMBL3884755 |
OBDepict
CH
3
O
O
CH
3
O
H
3
C
H
N
H
O
S
O
O
NH
2
|
Ki |
= |
0.81 |
nM |
468.53 |
COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC |
Homo sapiens |
CHEMBL3876602 |
single protein format |
CHEMBL4167060 |
OBDepict
NH
2
S
O
O
N
N
N
N
|
Ki |
= |
0.83 |
nM |
303.35 |
NS(=O)(=O)c1ccc(C2=NCCN2c2cncnc2)cc1 |
Homo sapiens |
CHEMBL4135747 |
single protein format |
CHEMBL4159818 |
OBDepict
H
3
C
O
N
N
S
O
O
NH
2
|
Ki |
= |
0.84 |
nM |
345.42 |
CCOc1ccccc1N1CCN=C1c1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4135747 |
single protein format |
CHEMBL4174943 |
OBDepict
NH
2
S
O
O
N
N
N
|
Ki |
= |
0.84 |
nM |
302.36 |
NS(=O)(=O)c1ccc(C2=NCCN2c2cccnc2)cc1 |
Homo sapiens |
CHEMBL4135747 |
single protein format |
CHEMBL4166046 |
OBDepict
H
3
C
HO
Se
S
O
O
NH
2
|
Ki |
= |
0.85 |
nM |
336.32 |
CCCCC(O)C[Se]c1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4136602 |
single protein format |
CHEMBL4170470 |
OBDepict
CH
3
O
O
H
3
C
N
N
S
O
O
NH
2
|
Ki |
= |
0.87 |
nM |
361.42 |
COc1ccc(N2CCN=C2c2ccc(S(N)(=O)=O)cc2)cc1OC |
Homo sapiens |
CHEMBL4135747 |
single protein format |
CHEMBL220492 |
OBDepict
NH
2
S
O
O
O
O
O
H
O
CH
3
H
3
C
H
O
H
O
CH
3
CH
3
|
Ki |
= |
0.87 |
nM |
339.37 |
CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |
Homo sapiens |
CHEMBL828071 |
single protein format |
CHEMBL3402966 |
OBDepict
_
O
+
N
O
O
S
O
O
NH
2
|
Ki |
= |
0.9 |
nM |
308.31 |
NS(=O)(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 |
Homo sapiens |
CHEMBL3405433 |
single protein format |
CHEMBL3884261 |
OBDepict
CH
3
O
O
H
N
H
3
C
H
O
S
S
O
O
NH
2
|
Ki |
= |
0.91 |
nM |
444.53 |
COc1ccc(OC)c([C@H]2[C@H](c3cccs3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c1 |
Homo sapiens |
CHEMBL3876602 |
single protein format |
CHEMBL4173906 |
OBDepict
H
3
C
N
N
S
O
O
NH
2
|
Ki |
= |
0.93 |
nM |
315.4 |
Cc1ccccc1N1CCN=C1c1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4135747 |
single protein format |
CHEMBL4163381 |
OBDepict
H
3
C
O
O
N
H
O
Se
S
O
O
NH
2
|
Ki |
= |
0.93 |
nM |
503.44 |
CC(=O)Oc1ccccc1C(=O)Nc1ccc([Se]Cc2ccc(S(N)(=O)=O)cc2)cc1 |
Homo sapiens |
CHEMBL4155228 |
single protein format |
CHEMBL4169857 |
OBDepict
Cl
N
N
S
O
O
NH
2
|
Ki |
= |
0.96 |
nM |
335.82 |
NS(=O)(=O)c1ccc(C2=NCCN2c2ccc(Cl)cc2)cc1 |
Homo sapiens |
CHEMBL4135747 |
single protein format |
CHEMBL4166037 |
OBDepict
N
Se
S
O
O
NH
2
|
Ki |
= |
0.97 |
nM |
275.19 |
N#C[Se]Cc1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4155228 |
single protein format |
CHEMBL4163192 |
OBDepict
H
3
C
O
N
N
S
O
O
NH
2
|
Ki |
= |
0.97 |
nM |
331.4 |
COc1ccc(N2CCN=C2c2ccc(S(N)(=O)=O)cc2)cc1 |
Homo sapiens |
CHEMBL4135747 |
single protein format |
CHEMBL4442611 |
OBDepict
Cl
HO
N
O
S
O
O
NH
2
|
Ki |
= |
1.0 |
nM |
394.88 |
NS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 |
Homo sapiens |
CHEMBL4331762 |
single protein format |
CHEMBL4519039 |
OBDepict
CH
O
P
O
O
S
O
O
H
2
N
|
Ki |
= |
1.1 |
nM |
351.32 |
C#CCO[P@](=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL4406728 |
single protein format |
CHEMBL4541654 |
OBDepict
O
N
H
N
O
N
H
O
S
O
O
NH
2
|
Ki |
= |
1.3 |
nM |
380.43 |
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 |
Homo sapiens |
CHEMBL4353554 |
single protein format |
CHEMBL2414441 |
OBDepict
F
N
S
O
O
NH
2
O
O
Cl
Cl
Cl
Cl
|
Ki |
= |
1.3 |
nM |
458.08 |
NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(F)c1 |
Homo sapiens |
CHEMBL2415806 |
single protein format |
CHEMBL3813924 |
OBDepict
NH
2
NH
O
N
S
N
S
O
O
NH
2
|
Ki |
= |
1.3 |
nM |
299.34 |
Nc1ccc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 |
Homo sapiens |
CHEMBL3815666 |
assay format |
CHEMBL3884597 |
OBDepict
CH
3
O
O
CH
3
H
N
H
O
S
O
O
NH
2
|
Ki |
= |
1.4 |
nM |
438.51 |
COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1OC |
Homo sapiens |
CHEMBL3876602 |
single protein format |
CHEMBL4070634 |
OBDepict
CH
3
O
N
O
S
O
O
NH
2
|
Ki |
= |
1.4 |
nM |
422.51 |
COc1ccc2c(c1)CCN(C(=O)c1ccc(S(N)(=O)=O)cc1)C2c1ccccc1 |
Homo sapiens |
CHEMBL4015665 |
single protein format |
CHEMBL4471521 |
OBDepict
CH
3
N
H
O
N
O
N
H
O
S
O
O
NH
2
|
Ki |
= |
1.5 |
nM |
394.45 |
CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C2=O |
Homo sapiens |
CHEMBL4353554 |
single protein format |
CHEMBL364127 |
OBDepict
Cl
HN
O
S
O
O
NH
2
|
Ki |
= |
1.5 |
nM |
350.83 |
NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)c1ccc(Cl)cc1)C2 |
Homo sapiens |
CHEMBL1009248 |
single protein format |
CHEMBL456889 |
OBDepict
CH
3
N
H
O
S
O
O
NH
2
|
Ki |
= |
1.5 |
nM |
366.53 |
CCCCCCCCCC(=O)NC1CCc2cc(S(N)(=O)=O)ccc21 |
Homo sapiens |
CHEMBL1009248 |
single protein format |
CHEMBL457996 |
OBDepict
NH
2
S
O
O
NH
2
|
Ki |
= |
1.6 |
nM |
212.27 |
NC1Cc2ccc(S(N)(=O)=O)cc2C1 |
Homo sapiens |
CHEMBL1009248 |
single protein format |
CHEMBL204941 |
OBDepict
H
3
C
N
H
O
CH
3
S
O
O
NH
2
|
Ki |
= |
1.7 |
nM |
338.47 |
CCCC(CCC)C(=O)NC1CCc2cc(S(N)(=O)=O)ccc21 |
Homo sapiens |
CHEMBL1009248 |
single protein format |
CHEMBL3586274 |
OBDepict
OH
N
NH
O
S
Br
O
O
NH
2
HO
|
Ki |
= |
1.7 |
nM |
380.22 |
NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O |
Homo sapiens |
CHEMBL3821827 |
assay format |
CHEMBL359768 |
OBDepict
CH
3
N
H
O
S
O
O
NH
2
|
Ki |
= |
1.7 |
nM |
254.31 |
CC(=O)NC1CCc2cc(S(N)(=O)=O)ccc21 |
Homo sapiens |
CHEMBL1009248 |
single protein format |
CHEMBL4093916 |
OBDepict
.
Se
N
H
N
H
O
Br
O
S
O
O
NH
2
F
F
F
|
Ki |
= |
1.7 |
nM |
545.2 |
NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2cc(Br)cc(OC(F)(F)F)c2)cc1 |
Homo sapiens |
CHEMBL4035967 |
single protein format |
CHEMBL4101645 |
OBDepict
H
3
C
N
H
O
N
H
.
Se
S
O
O
NH
2
|
Ki |
= |
1.8 |
nM |
480.49 |
CCCCCCCc1ccc(C(=O)NC(=[Se])Nc2ccc(S(N)(=O)=O)cc2)cc1 |
Homo sapiens |
CHEMBL4035967 |
single protein format |
CHEMBL3885451 |
OBDepict
CH
3
O
O
CH
3
O
H
N
CH
3
H
O
S
O
O
NH
2
|
Ki |
= |
1.8 |
nM |
468.53 |
COc1cc([C@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC |
Homo sapiens |
CHEMBL3876602 |
single protein format |
CHEMBL4162595 |
OBDepict
NH
2
S
O
O
Se
|
Ki |
= |
1.8 |
nM |
326.28 |
NS(=O)(=O)c1ccc([Se]Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4155228 |
single protein format |
CHEMBL4174548 |
OBDepict
OH
Se
O
S
O
O
NH
2
|
Ki |
= |
1.9 |
nM |
400.36 |
NS(=O)(=O)c1ccc([Se]CC(O)COCc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4136602 |
single protein format |
CHEMBL208532 |
OBDepict
CH
3
N
H
O
S
O
O
NH
2
|
Ki |
= |
1.9 |
nM |
366.53 |
CCCCCCCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1 |
Homo sapiens |
CHEMBL1009248 |
single protein format |
CHEMBL205867 |
OBDepict
O
HN
F
F
F
F
F
S
O
O
NH
2
|
Ki |
= |
1.9 |
nM |
406.33 |
NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)c1c(F)c(F)c(F)c(F)c1F |
Homo sapiens |
CHEMBL1009248 |
single protein format |
CHEMBL4161324 |
OBDepict
H
3
C
Se
S
O
O
NH
2
|
Ki |
= |
2.0 |
nM |
288.23 |
CC#CC[Se]c1ccc(S(N)(=O)=O)cc1 |
Homo sapiens |
CHEMBL4149855 |
single protein format |
CHEMBL3814487 |
OBDepict
O
N
H
N
S
N
+
N
S
O
_
O
O
O
NH
2
|
Ki |
= |
2.0 |
nM |
329.32 |
NS(=O)(=O)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 |
Homo sapiens |
CHEMBL3815666 |
assay format |
CHEMBL2377770 |
OBDepict
O
N
O
Cl
Cl
Cl
Cl
S
O
O
NH
2
|
Ki |
= |
2.1 |
nM |
440.09 |
NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 |
Homo sapiens |
CHEMBL2415806 |
single protein format |
CHEMBL19 |
OBDepict
CH
3
N
O
S
N
H
3
C
N
S
O
O
NH
2
|
Ki |
= |
2.1 |
nM |
236.28 |
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C |
Homo sapiens |
CHEMBL828071 |
single protein format |