molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1821980 |
|
Ki |
= |
0.06 |
nM |
366.69 |
Cl.NC1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O |
Homo sapiens |
CHEMBL3599782 |
single protein format |
CHEMBL289824 |
OBDepict
NH
2
P
O
HO
H
|
Ki |
= |
0.16 |
nM |
199.19 |
NC(CCc1ccccc1)[PH](=O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL3355110 |
OBDepict
H
2
N
O
OH
P
O
OH
H
2
N
N
|
Ki |
= |
0.21 |
nM |
391.41 |
NCc1ccc(CC(CP(=O)(O)C(N)CCc2cccnc2)C(=O)O)cc1 |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL3355099 |
OBDepict
H
P
H
2
N
O
OH
OH
|
Ki |
= |
0.23 |
nM |
215.19 |
N[C@@H](CCc1ccccc1)P(=O)(O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL1852660 |
OBDepict
O
NH
2
Br
|
Ki |
= |
0.35 |
nM |
330.23 |
NC1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O |
Homo sapiens |
CHEMBL2353230 |
single protein format |
CHEMBL3355109 |
OBDepict
H
2
N
O
OH
P
O
OH
H
2
N
|
Ki |
= |
0.69 |
nM |
390.42 |
NCc1ccc(CC(CP(=O)(O)C(N)CCc2ccccc2)C(=O)O)cc1 |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL1090914 |
OBDepict
H
2
N
P
O
OH
OH
|
Ki |
= |
0.79 |
nM |
215.19 |
NC(CCc1ccccc1)P(=O)(O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL3355111 |
OBDepict
NH
2
O
HO
P
O
OH
NH
2
N
|
Ki |
= |
1.1 |
nM |
391.41 |
NCc1cccc(CC(CP(=O)(O)C(N)CCc2ccncc2)C(=O)O)c1 |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL3355106 |
OBDepict
OH
O
P
O
HO
NH
2
N
|
Ki |
= |
1.3 |
nM |
362.37 |
NC(CCc1ccncc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL4854733 |
OBDepict
H
3
C
O
O
N
H
H
O
H
N
P
H
O
OH
H
3
C
CH
3
NH
2
H
|
IC50 |
= |
1.5 |
nM |
527.6 |
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(=O)(O)[C@@H](N)CCc1ccccc1 |
Homo sapiens |
CHEMBL4822041 |
single protein format |
CHEMBL3355104 |
OBDepict
HO
P
NH
2
O
OH
O
HO
|
Ki |
= |
1.7 |
nM |
391.4 |
NC(CCc1ccc(CO)cc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL327844 |
OBDepict
OH
O
P
O
HO
NH
2
|
Ki |
= |
2.0 |
nM |
361.38 |
NC(CCc1ccccc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL3355108 |
OBDepict
NH
2
O
HO
P
O
OH
NH
2
|
Ki |
= |
2.1 |
nM |
390.42 |
NCc1cccc(CC(CP(=O)(O)C(N)CCc2ccccc2)C(=O)O)c1 |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL3355105 |
OBDepict
OH
O
P
O
HO
NH
2
N
|
Ki |
= |
2.1 |
nM |
362.37 |
NC(CCc1cccnc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL1235787 |
OBDepict
O
NH
H
P
H
O
OH
O
OH
H
2
N
H
3
C
H
|
Ki |
= |
2.2 |
nM |
418.43 |
C[C@H](N)P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL2155990 |
single protein format |
CHEMBL4877339 |
OBDepict
H
3
C
H
3
C
H
HN
O
P
O
OH
H
NH
2
H
O
OH
N
H
|
IC50 |
= |
2.3 |
nM |
513.58 |
CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O |
Homo sapiens |
CHEMBL4822041 |
single protein format |
CHEMBL3355101 |
OBDepict
OH
O
P
O
HO
NH
2
+
N
O
_
O
|
Ki |
= |
2.4 |
nM |
406.38 |
NC(CCc1ccc([N+](=O)[O-])cc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL40422 |
OBDepict
H
P
H
2
N
O
OH
OH
CH
3
H
3
C
|
Ki |
= |
2.62 |
nM |
167.15 |
CC(C)C[C@H](N)P(=O)(O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL420321 |
OBDepict
O
NH
H
P
H
3
C
H
O
OH
O
HO
H
2
N
CH
3
H
|
Ki |
= |
2.9 |
nM |
418.43 |
C[C@H](NC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)CP(=O)(O)[C@@H](C)N)C(=O)O |
Homo sapiens |
CHEMBL644743 |
single protein format |
CHEMBL3416733 |
OBDepict
H
3
C
H
3
C
H
HN
O
P
O
OH
H
NH
2
H
O
NH
2
N
H
|
IC50 |
= |
3.7 |
nM |
512.59 |
CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |
Homo sapiens |
CHEMBL4822041 |
single protein format |
CHEMBL117394 |
OBDepict
O
NH
H
P
H
3
C
H
O
OH
O
HO
NH
2
H
|
Ki |
= |
4.8 |
nM |
480.5 |
C[C@H](NC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)CP(=O)(O)[C@H](N)c1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL644743 |
single protein format |
CHEMBL3355100 |
OBDepict
H
3
C
CH
3
P
NH
2
O
OH
O
HO
|
Ki |
= |
4.8 |
nM |
389.43 |
Cc1cc(C)cc(CCC(N)P(=O)(O)CC(Cc2ccccc2)C(=O)O)c1 |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL88808 |
OBDepict
OH
O
P
O
HO
NH
2
HO
|
Ki |
= |
7.2 |
nM |
377.38 |
NC(CCc1ccccc1)P(=O)(O)CC(Cc1ccc(O)cc1)C(=O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL1159812 |
OBDepict
CH
3
S
NH
2
HS
|
Ki |
= |
8.0 |
nM |
151.3 |
CSCCC(N)CS |
Homo sapiens |
CHEMBL4194808 |
assay format |
CHEMBL4853049 |
OBDepict
CH
3
H
3
C
H
N
H
O
P
O
OH
H
2
N
H
N
H
|
IC50 |
= |
8.6 |
nM |
469.57 |
CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 |
Homo sapiens |
CHEMBL4822041 |
single protein format |
CHEMBL3298942 |
OBDepict
OH
O
F
F
F
HS
NH
2
H
S
CH
3
|
Ki |
= |
11.0 |
nM |
265.32 |
CSCC[C@H](N)CS.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL3365757 |
single protein format |
CHEMBL3298943 |
OBDepict
OH
O
F
F
F
HS
NH
2
H
+
S
CH
3
_
O
|
Ki |
= |
11.0 |
nM |
281.32 |
C[S+]([O-])CC[C@H](N)CS.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL3365757 |
single protein format |
CHEMBL1821978 |
OBDepict
O
NH
2
ClH
|
Ki |
= |
11.0 |
nM |
287.79 |
Cl.NC1CCc2cccc(-c3ccccc3)c2CC1=O |
Homo sapiens |
CHEMBL2353230 |
single protein format |
CHEMBL1160959 |
OBDepict
H
3
C
S
NH
2
H
S
S
H
N
H
O
O
O
|
Ki |
= |
11.0 |
nM |
582.86 |
CSCC[C@H](N)CSSC[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1 |
Homo sapiens |
CHEMBL644743 |
single protein format |
CHEMBL1159812 |
OBDepict
CH
3
S
NH
2
HS
|
IC50 |
= |
11.0 |
nM |
151.3 |
CSCCC(N)CS |
Homo sapiens |
CHEMBL4194794 |
single protein format |
CHEMBL3298944 |
OBDepict
OH
O
F
F
F
CH
3
NH
2
H
HS
|
Ki |
= |
13.0 |
nM |
247.28 |
CCCC[C@H](N)CS.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL3365757 |
single protein format |
CHEMBL4217873 |
OBDepict
H
3
C
CH
3
NH
2
H
OH
H
N
H
O
H
HN
O
H
3
C
H
3
C
H
N
H
O
H
3
C
CH
3
H
O
HO
O
OH
|
Ki |
= |
19.0 |
nM |
474.56 |
CC(C)C[C@H](N)[C@@H](O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)O)C(C)C)C(C)C |
Homo sapiens |
CHEMBL4194795 |
single protein format |
CHEMBL4205440 |
OBDepict
H
3
C
H
3
C
HN
H
N
O
O
H
OH
H
N
O
H
2
N
H
H
O
OH
|
Ki |
= |
19.0 |
nM |
502.61 |
CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |
Homo sapiens |
CHEMBL4194795 |
single protein format |
CHEMBL1941150 |
OBDepict
H
3
C
H
3
C
HN
H
N
O
O
H
OH
H
N
O
H
2
N
H
H
O
OH
|
Ki |
= |
19.0 |
nM |
502.61 |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |
Homo sapiens |
CHEMBL2395658 |
single protein format |
CHEMBL4210855 |
OBDepict
O
NH
2
|
Ki |
= |
20.0 |
nM |
211.26 |
NC1Cc2ccc3ccccc3c2CC1=O |
Homo sapiens |
CHEMBL4194822 |
single protein format |
CHEMBL1159811 |
OBDepict
CH
3
S
NH
2
HS
|
IC50 |
= |
20.0 |
nM |
137.27 |
CSCC(N)CS |
Homo sapiens |
CHEMBL4194794 |
single protein format |
CHEMBL1159809 |
OBDepict
_
O
+
S
CH
3
NH
2
HS
|
IC50 |
= |
20.0 |
nM |
167.3 |
C[S+]([O-])CCC(N)CS |
Homo sapiens |
CHEMBL4194794 |
single protein format |
CHEMBL4208547 |
OBDepict
NH
2
B
O
O
CH
3
CH
3
CH
3
H
3
C
|
IC50 |
= |
20.0 |
nM |
247.15 |
CC1(C)OB(C(N)Cc2ccccc2)OC1(C)C |
Homo sapiens |
CHEMBL4194794 |
single protein format |
CHEMBL4216928 |
OBDepict
OH
B
HO
NH
2
H
3
C
CH
3
|
IC50 |
= |
20.0 |
nM |
130.98 |
CC(C)CC(N)B(O)O |
Homo sapiens |
CHEMBL4194794 |
single protein format |
CHEMBL1159810 |
OBDepict
_
O
+
S
CH
3
NH
2
SH
|
IC50 |
= |
21.0 |
nM |
153.27 |
C[S+]([O-])CC(N)CS |
Homo sapiens |
CHEMBL4194794 |
single protein format |
CHEMBL3355103 |
OBDepict
OH
O
P
O
HO
NH
2
OH
|
Ki |
= |
24.2 |
nM |
377.38 |
NC(CCc1ccc(O)cc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL4213478 |
OBDepict
H
3
C
CH
3
B
H
2
N
O
O
CH
3
H
3
C
H
3
C
H
3
C
|
IC50 |
= |
25.0 |
nM |
213.13 |
CC(C)CC(N)B1OC(C)(C)C(C)(C)O1 |
Homo sapiens |
CHEMBL4194794 |
single protein format |
CHEMBL3355107 |
OBDepict
H
3
C
CH
3
O
HO
P
O
OH
NH
2
|
Ki |
= |
27.8 |
nM |
389.43 |
Cc1cc(C)cc(CC(CP(=O)(O)C(N)CCc2ccccc2)C(=O)O)c1 |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL328470 |
OBDepict
OH
NH
O
N
O
CH
3
H
3
C
N
N
N
H
N
Cl
|
IC50 |
= |
28.0 |
nM |
519.09 |
CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)CC(=O)NO |
Homo sapiens |
CHEMBL644741 |
single protein format |
CHEMBL414393 |
OBDepict
HS
H
2
N
|
IC50 |
= |
30.0 |
nM |
167.28 |
NC(CS)Cc1ccccc1 |
Homo sapiens |
CHEMBL646415 |
single protein format |
CHEMBL27040 |
OBDepict
HS
H
2
N
O
HO
|
Ki |
= |
35.0 |
nM |
231.36 |
NC(CS)CC1CCC(CC(=O)O)CC1 |
Homo sapiens |
CHEMBL646416 |
single protein format |
CHEMBL3298945 |
OBDepict
OH
O
F
F
F
HS
NH
2
H
O
CH
3
|
Ki |
= |
35.0 |
nM |
249.25 |
COCC[C@H](N)CS.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL3365757 |
single protein format |
CHEMBL4204214 |
OBDepict
CH
3
B
NH
2
O
O
H
3
C
H
3
C
H
3
C
H
3
C
|
IC50 |
= |
40.0 |
nM |
171.05 |
CC(N)B1OC(C)(C)C(C)(C)O1 |
Homo sapiens |
CHEMBL4194794 |
single protein format |
CHEMBL3298946 |
OBDepict
OH
O
F
F
F
CH
3
O
NH
2
H
HS
|
Ki |
= |
47.0 |
nM |
263.28 |
CCOCC[C@H](N)CS.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL3365757 |
single protein format |
CHEMBL3298947 |
OBDepict
OH
O
F
F
F
CH
3
O
NH
2
H
HS
|
Ki |
= |
55.0 |
nM |
249.25 |
CCOC[C@H](N)CS.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL3365757 |
single protein format |
CHEMBL3806197 |
OBDepict
CH
3
O
N
H
P
H
2
N
O
OH
HO
|
Ki |
= |
65.0 |
nM |
274.26 |
COc1ccc(CCNCC(N)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL3805495 |
OBDepict
CH
3
O
NH
P
H
2
N
O
OH
O
HO
|
Ki |
= |
78.0 |
nM |
420.45 |
COc1ccc(CCNCC(N)P(=O)(O)CC(Cc2ccccc2)C(=O)O)cc1 |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL4215801 |
OBDepict
NH
2
O
|
Ki |
= |
80.0 |
nM |
315.42 |
NC1Cc2ccc3ccccc3c2C(CCc2ccccc2)C1=O |
Homo sapiens |
CHEMBL4194822 |
single protein format |
CHEMBL3764919 |
OBDepict
OH
N
H
O
N
H
H
N
H
O
CH
3
H
3
C
CH
3
CH
3
|
IC50 |
= |
120.0 |
nM |
293.37 |
Cc1cccc(C)c1NC(=O)N[C@@H](CC(C)C)C(=O)NO |
Homo sapiens |
CHEMBL3767301 |
cell-based format |
CHEMBL28124 |
OBDepict
H
NH
2
HS
O
HO
|
Ki |
= |
120.0 |
nM |
149.21 |
N[C@H](CS)CCC(=O)O |
Homo sapiens |
CHEMBL646416 |
single protein format |
CHEMBL88645 |
OBDepict
CH
3
N
CH
3
O
O
|
Ki |
= |
120.0 |
nM |
293.37 |
CCc1cccc(CC)c1N1C(=O)Cc2ccccc2C1=O |
Homo sapiens |
CHEMBL4194794 |
single protein format |
CHEMBL3355102 |
OBDepict
OH
P
NH
2
O
OH
O
HO
|
Ki |
= |
146.0 |
nM |
377.38 |
NC(CCc1cccc(O)c1)P(=O)(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL288165 |
OBDepict
H
P
H
2
N
O
OH
OH
CH
3
H
3
C
|
Ki |
= |
167.0 |
nM |
167.15 |
CC(C)C[C@@H](N)P(=O)(O)O |
Homo sapiens |
CHEMBL3373422 |
single protein format |
CHEMBL308333 |
OBDepict
CH
3
H
HN
O
HN
O
H
OH
N
O
H
3
C
CH
3
H
HO
|
Ki |
= |
170.0 |
nM |
385.51 |
CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C |
Homo sapiens |
CHEMBL4194795 |
single protein format |
CHEMBL4209822 |
OBDepict
OH
N
H
O
HO
H
H
N
H
O
CH
3
CH
3
H
O
HO
|
IC50 |
= |
190.0 |
nM |
338.36 |
CC(C)C[C@H](C(=O)N[C@H](C(=O)O)c1ccccc1)[C@H](O)C(=O)NO |
Homo sapiens |
CHEMBL4194794 |
single protein format |
CHEMBL28650 |
OBDepict
H
3
C
CH
3
NH
2
H
OH
H
N
H
O
H
HN
O
H
3
C
H
3
C
H
N
H
O
H
3
C
CH
3
H
O
HO
O
OH
|
Ki |
= |
200.0 |
nM |
474.56 |
CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C |
Homo sapiens |
CHEMBL646416 |
single protein format |
CHEMBL3805118 |
OBDepict
H
2
N
P
O
OH
HN
O
HO
|
Ki |
= |
207.0 |
nM |
382.44 |
NC(CNC1CCCCCC1)P(=O)(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL27519 |
OBDepict
SH
NH
2
O
OH
|
Ki |
= |
210.0 |
nM |
217.33 |
NC(CS)CC1CCCC(C(=O)O)C1 |
Homo sapiens |
CHEMBL646416 |
single protein format |
CHEMBL4206158 |
OBDepict
OH
N
H
O
HO
H
H
N
H
O
CH
3
CH
3
H
O
O
|
IC50 |
= |
220.0 |
nM |
406.48 |
CC(C)C[C@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO |
Homo sapiens |
CHEMBL4194794 |
single protein format |
CHEMBL4863168 |
OBDepict
H
3
C
H
3
C
H
HN
O
P
O
OH
H
NH
2
H
O
NH
2
N
H
|
IC50 |
= |
230.0 |
nM |
512.59 |
CC(C)C[C@@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |
Homo sapiens |
CHEMBL4822041 |
single protein format |
CHEMBL226864 |
OBDepict
HO
P
O
OH
H
2
N
|
IC50 |
= |
240.0 |
nM |
319.34 |
NC(Cc1ccccc1)P(=O)(O)C(O)CCc1ccccc1 |
Homo sapiens |
CHEMBL887382 |
single protein format |
CHEMBL1782887 |
OBDepict
O
NH
H
HN
H
N
H
O
O
H
NH
2
OH
O
HO
|
Ki |
= |
240.0 |
nM |
536.63 |
N[C@H]1CC/C=C/CC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O |
Homo sapiens |
CHEMBL1787847 |
cell-based format |
CHEMBL3804856 |
OBDepict
H
2
N
P
O
OH
HN
O
HO
|
Ki |
= |
275.0 |
nM |
368.41 |
NC(CNC1CCCCC1)P(=O)(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL3764432 |
OBDepict
HO
NH
O
HN
H
HN
O
CH
3
CH
3
CH
3
CH
3
|
IC50 |
= |
280.0 |
nM |
321.42 |
CCc1cccc(CC)c1NC(=O)N[C@@H](CC(C)C)C(=O)NO |
Homo sapiens |
CHEMBL3767301 |
cell-based format |
CHEMBL3806247 |
OBDepict
CH
3
N
H
P
H
2
N
O
OH
HO
|
Ki |
= |
297.0 |
nM |
224.24 |
CCCCCCNCC(N)P(=O)(O)O |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL4435950 |
OBDepict
HO
N
H
O
NH
O
CH
3
CH
3
H
3
C
F
F
F
|
Ki |
= |
300.0 |
nM |
394.39 |
CC(C)(C)CC(=O)NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 |
Homo sapiens |
CHEMBL4372787 |
cell-based format |
CHEMBL3805986 |
OBDepict
H
2
N
P
O
OH
OH
N
H
|
Ki |
= |
341.0 |
nM |
230.2 |
NC(CNCc1ccccc1)P(=O)(O)O |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL3805817 |
OBDepict
H
3
C
O
N
H
P
H
2
N
O
OH
OH
|
Ki |
= |
357.0 |
nM |
260.23 |
COc1ccc(CNCC(N)P(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL4456660 |
OBDepict
HO
N
H
O
HN
H
N
H
O
CH
3
CH
3
N
N
N
O
O
|
IC50 |
= |
390.0 |
nM |
530.59 |
CC(C)C[C@H](NC(=O)NCc1cn(-c2ccccc2COC(=O)c2cccc3ccccc23)nn1)C(=O)NO |
Homo sapiens |
CHEMBL4370721 |
single protein format |
CHEMBL3804861 |
OBDepict
CH
3
N
H
P
H
2
N
O
OH
HO
|
Ki |
= |
391.0 |
nM |
244.23 |
CC(NCC(N)P(=O)(O)O)c1ccccc1 |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL3805573 |
OBDepict
H
2
N
P
O
OH
OH
N
H
|
Ki |
= |
397.0 |
nM |
236.25 |
NC(CNC1CCCCCC1)P(=O)(O)O |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL308333 |
OBDepict
CH
3
H
HN
O
HN
O
H
OH
N
O
H
3
C
CH
3
H
HO
|
IC50 |
= |
400.0 |
nM |
385.51 |
CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C |
Homo sapiens |
CHEMBL4194795 |
single protein format |
CHEMBL2204959 |
OBDepict
OH
N
H
O
NH
H
NH
O
CH
3
H
3
C
|
IC50 |
= |
420.0 |
nM |
329.4 |
CC(C)C[C@H](NC(=O)NCc1cccc2ccccc12)C(=O)NO |
Homo sapiens |
CHEMBL2210541 |
single protein format |
CHEMBL3244800 |
OBDepict
HO
H
O
H
N
H
H
N
H
OH
O
N
N
H
2
N
H
S
N
N
CH
3
CH
3
|
IC50 |
= |
420.0 |
nM |
563.68 |
CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](N)CSC(c2ccccc2)c2ccccc2)[C@H]1O |
Homo sapiens |
CHEMBL4132610 |
single protein format |
CHEMBL2204943 |
OBDepict
HO
N
H
O
HN
H
HN
O
CH
3
CH
3
|
IC50 |
= |
480.0 |
nM |
315.37 |
CC(C)C[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)NO |
Homo sapiens |
CHEMBL2210541 |
single protein format |
CHEMBL3805028 |
OBDepict
CH
3
CH
3
HN
P
NH
2
O
OH
O
HO
|
Ki |
= |
499.0 |
nM |
342.38 |
CC(C)CNCC(N)P(=O)(O)CC(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL226911 |
OBDepict
HO
P
O
OH
H
2
N
CH
3
CH
3
|
IC50 |
= |
500.0 |
nM |
271.3 |
CC(C)C(N)P(=O)(O)C(O)CCc1ccccc1 |
Homo sapiens |
CHEMBL887382 |
single protein format |
CHEMBL1668623 |
OBDepict
NH
2
O
ClH
|
Ki |
= |
500.0 |
nM |
197.66 |
Cl.NC1Cc2ccccc2CC1=O |
Homo sapiens |
CHEMBL1670936 |
single protein format |
CHEMBL227345 |
OBDepict
H
2
N
P
O
OH
N
H
O
CH
3
H
3
C
|
IC50 |
= |
530.0 |
nM |
284.3 |
CC(C)CC(N)P(=O)(O)C(=O)NCc1ccccc1 |
Homo sapiens |
CHEMBL887382 |
single protein format |
CHEMBL2332525 |
OBDepict
HO
NH
O
HN
H
HN
O
CH
3
CH
3
Br
|
IC50 |
= |
530.0 |
nM |
344.21 |
CC(C)C[C@H](NC(=O)Nc1ccccc1Br)C(=O)NO |
Homo sapiens |
CHEMBL2340787 |
cell-based format |
CHEMBL226863 |
OBDepict
H
2
N
P
O
OH
HO
|
IC50 |
= |
550.0 |
nM |
305.31 |
NC(Cc1ccccc1)P(=O)(O)C(O)Cc1ccccc1 |
Homo sapiens |
CHEMBL887382 |
single protein format |
CHEMBL227290 |
OBDepict
H
2
N
P
O
OH
H
2
N
|
IC50 |
= |
600.0 |
nM |
304.33 |
NC(Cc1ccccc1)P(=O)(O)C(N)Cc1ccccc1 |
Homo sapiens |
CHEMBL887382 |
single protein format |
CHEMBL2332526 |
OBDepict
OH
N
H
O
N
H
H
N
H
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
610.0 |
nM |
279.34 |
Cc1ccccc1NC(=O)N[C@@H](CC(C)C)C(=O)NO |
Homo sapiens |
CHEMBL2340787 |
cell-based format |
CHEMBL4469933 |
OBDepict
HO
N
H
O
HN
H
N
H
O
CH
3
CH
3
N
N
N
O
O
|
IC50 |
= |
620.0 |
nM |
506.56 |
CC(C)C[C@H](NC(=O)NCc1cn(-c2ccccc2COC(=O)/C=C/c2ccccc2)nn1)C(=O)NO |
Homo sapiens |
CHEMBL4370721 |
single protein format |
CHEMBL4549692 |
OBDepict
OH
HN
O
N
H
H
HN
O
CH
3
H
3
C
N
N
N
O
O
|
IC50 |
= |
650.0 |
nM |
480.53 |
CC(C)C[C@H](NC(=O)NCc1cn(-c2ccccc2COC(=O)c2ccccc2)nn1)C(=O)NO |
Homo sapiens |
CHEMBL4370721 |
single protein format |
CHEMBL2332518 |
OBDepict
OH
N
H
O
NH
H
NH
O
H
3
C
H
3
C
Cl
|
IC50 |
= |
650.0 |
nM |
313.79 |
CC(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(=O)NO |
Homo sapiens |
CHEMBL2340787 |
cell-based format |
CHEMBL2103847 |
OBDepict
OH
N
H
O
HO
H
H
N
H
O
CH
3
CH
3
H
O
O
|
IC50 |
= |
680.0 |
nM |
406.48 |
CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO |
Homo sapiens |
CHEMBL4132610 |
single protein format |
CHEMBL3806072 |
OBDepict
H
2
N
P
O
OH
OH
N
H
|
Ki |
= |
691.0 |
nM |
222.22 |
NC(CNC1CCCCC1)P(=O)(O)O |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL2332527 |
OBDepict
HO
N
H
O
N
H
H
N
H
O
H
3
C
CH
3
O
CH
3
|
IC50 |
= |
700.0 |
nM |
295.34 |
COc1ccccc1NC(=O)N[C@@H](CC(C)C)C(=O)NO |
Homo sapiens |
CHEMBL2340787 |
cell-based format |
CHEMBL227340 |
OBDepict
H
2
N
P
O
OH
H
2
N
|
IC50 |
= |
710.0 |
nM |
318.36 |
NC(CCc1ccccc1)P(=O)(O)C(N)Cc1ccccc1 |
Homo sapiens |
CHEMBL887382 |
single protein format |
CHEMBL2332519 |
OBDepict
OH
N
H
O
NH
H
NH
O
H
3
C
H
3
C
Br
|
IC50 |
= |
730.0 |
nM |
358.24 |
CC(C)C[C@H](NC(=O)NCc1ccccc1Br)C(=O)NO |
Homo sapiens |
CHEMBL2340787 |
cell-based format |
CHEMBL4125687 |
OBDepict
OH
N
H
O
NH
H
N
H
O
H
3
C
H
3
C
N
N
N
O
|
IC50 |
= |
740.0 |
nM |
466.54 |
CC(C)C[C@H](NC(=O)NCc1cn(Cc2ccccc2OCc2ccccc2)nn1)C(=O)NO |
Homo sapiens |
CHEMBL4124538 |
cell-based format |
CHEMBL3805487 |
OBDepict
H
2
N
P
O
OH
OH
N
H
O
|
Ki |
= |
782.0 |
nM |
224.2 |
NC(CNCC1CCCO1)P(=O)(O)O |
Homo sapiens |
CHEMBL3806577 |
single protein format |
CHEMBL2204950 |
OBDepict
OH
N
H
O
NH
H
NH
O
H
3
C
H
3
C
O
CH
3
|
IC50 |
= |
790.0 |
nM |
309.37 |
COc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1 |
Homo sapiens |
CHEMBL2210541 |
single protein format |
CHEMBL29292 |
OBDepict
H
HO
NH
2
H
N
H
O
H
O
OH
H
3
C
CH
3
|
IC50 |
= |
800.0 |
nM |
308.38 |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL4132610 |
single protein format |