molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL98869 |
|
Ki |
= |
0.082 |
nM |
309.84 |
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL938687 |
single protein format |
CHEMBL98801 |
OBDepict
H
NH
2
N
O
N
H
3
C
Cl
|
IC50 |
= |
0.22 |
nM |
323.87 |
CN(CC[C@H](N)C(=O)N1CCCCC1)Cc1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL98762 |
OBDepict
O
N
H
2
N
H
HN
Cl
|
IC50 |
= |
0.23 |
nM |
309.84 |
N[C@@H](CCNCc1ccccc1Cl)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL99506 |
OBDepict
F
N
O
NH
2
H
NH
Cl
|
IC50 |
= |
0.39 |
nM |
327.83 |
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCC(F)CC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL418979 |
OBDepict
O
N
H
2
N
H
HN
O
|
IC50 |
= |
0.39 |
nM |
381.52 |
N[C@@H](CCNCc1ccccc1OCc1ccccc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL99247 |
OBDepict
H
H
2
N
N
O
N
H
O
|
IC50 |
= |
0.41 |
nM |
381.52 |
N[C@@H](CCNCc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL398076 |
OBDepict
CH
3
B
N
H
H
OH
HO
O
NH
2
H
H
2
N
|
IC50 |
= |
0.48 |
nM |
231.1 |
CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O |
Homo sapiens |
CHEMBL902270 |
single protein format |
CHEMBL194354 |
OBDepict
CH
3
B
N
H
H
OH
HO
O
NH
2
H
H
2
N
|
IC50 |
= |
0.48 |
nM |
231.1 |
CCCC[C@@H](NC(=O)[C@@H](N)CCN)B(O)O |
Homo sapiens |
CHEMBL881765 |
single protein format |
CHEMBL98869 |
OBDepict
H
NH
2
N
O
N
H
Cl
|
IC50 |
= |
0.48 |
nM |
309.84 |
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL98148 |
OBDepict
CH
3
N
O
NH
2
H
NH
Cl
|
IC50 |
= |
0.55 |
nM |
323.87 |
CC1CCN(C(=O)[C@@H](N)CCNCc2ccc(Cl)cc2)CC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL97970 |
OBDepict
O
N
H
2
N
H
N
|
IC50 |
= |
0.6 |
nM |
365.52 |
N[C@@H](CCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL215299 |
OBDepict
H
N
H
H
3
C
H
2
N
H
N
O
Cl
|
IC50 |
= |
0.62 |
nM |
323.87 |
C[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL856334 |
single protein format |
CHEMBL98060 |
OBDepict
F
N
O
NH
2
H
HN
Cl
|
IC50 |
= |
0.62 |
nM |
327.83 |
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCC(F)C1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL99047 |
OBDepict
CH
3
O
NH
NH
2
H
N
O
|
IC50 |
= |
0.66 |
nM |
305.42 |
COc1ccc(CNCC[C@H](N)C(=O)N2CCCCC2)cc1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL194428 |
OBDepict
NH
2
NH
2
H
N
O
H
B
OH
HO
|
IC50 |
= |
0.72 |
nM |
215.06 |
NCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O |
Homo sapiens |
CHEMBL881765 |
single protein format |
CHEMBL99111 |
OBDepict
O
N
H
2
N
H
HN
N
|
IC50 |
= |
0.75 |
nM |
276.38 |
N[C@@H](CCNCc1ccncc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL98423 |
OBDepict
O
N
H
2
N
H
HN
S
|
IC50 |
= |
0.8 |
nM |
281.43 |
N[C@@H](CCNCc1cccs1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL397057 |
OBDepict
H
2
N
H
2
N
H
N
O
H
H
|
IC50 |
= |
0.88 |
nM |
211.31 |
NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@H]21 |
Homo sapiens |
CHEMBL902270 |
single protein format |
CHEMBL317312 |
OBDepict
H
H
2
N
N
O
N
H
|
IC50 |
= |
0.9 |
nM |
289.42 |
N[C@@H](CCNCCc1ccccc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL372180 |
OBDepict
CH
3
NH
N
O
H
B
OH
HO
|
IC50 |
= |
1.0 |
nM |
350.31 |
CCCCCC12CCC(NCC(=O)N3CCC[C@H]3B(O)O)(CC1)CC2 |
Homo sapiens |
CHEMBL880568 |
single protein format |
CHEMBL97977 |
OBDepict
O
N
H
2
N
H
HN
|
IC50 |
= |
1.1 |
nM |
281.44 |
N[C@@H](CCNCC1CCCCC1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL100370 |
OBDepict
Cl
NH
H
2
N
H
N
O
|
IC50 |
= |
1.1 |
nM |
307.83 |
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CC=CCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL98860 |
OBDepict
O
N
NH
2
H
NH
|
IC50 |
= |
1.1 |
nM |
325.46 |
N[C@@H](CCNCc1ccc2ccccc2c1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL317950 |
OBDepict
H
3
C
N
O
H
2
N
H
HN
Cl
|
IC50 |
= |
1.13 |
nM |
323.87 |
CC1CCCN(C(=O)[C@@H](N)CCNCc2ccc(Cl)cc2)C1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL97884 |
OBDepict
O
N
NH
2
H
NH
|
IC50 |
= |
1.31 |
nM |
325.46 |
N[C@@H](CCNCc1cccc2ccccc12)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL317949 |
OBDepict
Cl
HN
NH
2
H
N
O
|
IC50 |
= |
1.34 |
nM |
309.84 |
N[C@@H](CCNCc1cccc(Cl)c1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL98415 |
OBDepict
H
H
2
N
N
O
N
H
|
IC50 |
= |
1.5 |
nM |
261.37 |
N[C@@H](CCNc1ccccc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL440325 |
OBDepict
H
NH
2
N
O
N
H
O
CH
3
|
IC50 |
= |
1.5 |
nM |
227.31 |
CC(=O)NCC[C@H](N)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL327499 |
OBDepict
CH
3
O
HN
NH
2
H
N
O
|
IC50 |
= |
1.77 |
nM |
305.42 |
COc1cccc(CNCC[C@H](N)C(=O)N2CCCCC2)c1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL101401 |
OBDepict
H
NH
2
N
O
N
H
2
N
NH
2
|
IC50 |
= |
1.8 |
nM |
227.31 |
NC(N)=NCC[C@H](N)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL196933 |
OBDepict
OH
B
HO
H
N
O
N
H
|
IC50 |
= |
1.8 |
nM |
268.17 |
O=C(CNC1CCCCCC1)N1CCC[C@H]1B(O)O |
Homo sapiens |
CHEMBL880568 |
single protein format |
CHEMBL430661 |
OBDepict
O
N
NH
2
H
NH
|
IC50 |
= |
1.91 |
nM |
303.45 |
N[C@@H](CCNCCCc1ccccc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL194852 |
OBDepict
CH
3
H
2
N
H
N
O
H
B
HO
HO
|
IC50 |
= |
2.0 |
nM |
228.1 |
CCCC[C@H](N)C(=O)N1CCC[C@@H]1B(O)O |
Homo sapiens |
CHEMBL881765 |
single protein format |
CHEMBL99263 |
OBDepict
O
N
H
2
N
H
HN
|
IC50 |
= |
2.03 |
nM |
275.4 |
N[C@@H](CCNCc1ccccc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL196267 |
OBDepict
HO
B
HO
H
N
O
N
H
|
IC50 |
= |
2.2 |
nM |
310.25 |
O=C(CNC1CCCCCCCCC1)N1CCC[C@H]1B(O)O |
Homo sapiens |
CHEMBL880568 |
single protein format |
CHEMBL319520 |
OBDepict
Cl
HN
NH
2
H
N
O
CH
3
|
IC50 |
= |
2.3 |
nM |
323.87 |
CC1CCCCN1C(=O)[C@@H](N)CCNCc1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL237336 |
OBDepict
F
H
3
C
H
NH
2
H
N
O
H
F
|
IC50 |
= |
2.7 |
nM |
344.41 |
C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 |
Homo sapiens |
CHEMBL1023101 |
single protein format |
CHEMBL99260 |
OBDepict
CH
3
O
O
HN
CH
3
NH
2
H
N
O
|
IC50 |
= |
2.7 |
nM |
335.45 |
COc1ccc(CNCC[C@H](N)C(=O)N2CCCCC2)c(OC)c1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL330600 |
OBDepict
N
N
H
NH
2
H
N
O
|
IC50 |
= |
2.7 |
nM |
300.41 |
N#Cc1cccc(CNCC[C@H](N)C(=O)N2CCCCC2)c1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL215244 |
OBDepict
CH
3
N
H
H
NH
2
H
N
O
Cl
|
IC50 |
= |
3.4 |
nM |
337.9 |
CC[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL856334 |
single protein format |
CHEMBL194517 |
OBDepict
CH
3
B
N
H
H
OH
HO
O
NH
2
H
H
2
N
|
IC50 |
= |
3.7 |
nM |
259.16 |
CCCC[C@@H](NC(=O)[C@@H](N)CCCCN)B(O)O |
Homo sapiens |
CHEMBL881765 |
single protein format |
CHEMBL214630 |
OBDepict
Cl
N
H
H
H
2
N
H
N
O
|
IC50 |
= |
3.8 |
nM |
399.97 |
N[C@@H](C[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL856334 |
single protein format |
CHEMBL329314 |
OBDepict
N
N
O
NH
2
H
HN
|
IC50 |
= |
4.0 |
nM |
300.41 |
N#CC1CCCCN1C(=O)[C@@H](N)CCNCc1ccccc1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL382974 |
OBDepict
OH
B
OH
H
N
O
N
H
|
IC50 |
= |
4.0 |
nM |
282.19 |
O=C(CNC1CCCCCCC1)N1CCC[C@H]1B(O)O |
Homo sapiens |
CHEMBL880568 |
single protein format |
CHEMBL371130 |
OBDepict
OH
B
HO
H
N
O
N
H
|
IC50 |
= |
4.1 |
nM |
254.14 |
O=C(CNC1CCCCC1)N1CCC[C@H]1B(O)O |
Homo sapiens |
CHEMBL880568 |
single protein format |
CHEMBL329966 |
OBDepict
H
NH
2
N
O
N
Cl
Cl
|
IC50 |
= |
4.2 |
nM |
434.41 |
N[C@@H](CCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL418788 |
OBDepict
N
N
N
H
NH
2
H
N
O
|
IC50 |
= |
4.6 |
nM |
287.37 |
N#Cc1ccc(NCC[C@H](N)C(=O)N2CCCCC2)nc1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL373319 |
OBDepict
CH
3
B
N
H
H
OH
HO
O
NH
2
H
H
2
N
|
IC50 |
= |
4.7 |
nM |
245.13 |
CCCC[C@@H](NC(=O)[C@@H](N)CCCN)B(O)O |
Homo sapiens |
CHEMBL881765 |
single protein format |
CHEMBL196120 |
OBDepict
HO
B
OH
H
N
O
H
2
N
CH
3
H
|
IC50 |
= |
6.3 |
nM |
186.02 |
C[C@@H](N)C(=O)N1CCC[C@H]1B(O)O |
Homo sapiens |
CHEMBL880568 |
single protein format |
CHEMBL319350 |
OBDepict
N
N
O
NH
2
H
HN
Cl
|
IC50 |
= |
6.5 |
nM |
334.85 |
N#CC1CCCCN1C(=O)[C@@H](N)CCNCc1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL101656 |
OBDepict
NH
2
N
H
N
O
NH
2
H
2
N
|
IC50 |
= |
7.4 |
nM |
227.31 |
NCC[C@H](N=C(N)N)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL318670 |
OBDepict
O
N
H
NH
2
H
N
O
|
IC50 |
= |
7.4 |
nM |
289.38 |
N[C@@H](CCNC(=O)c1ccccc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL362922 |
OBDepict
OH
OH
H
N
O
N
H
|
IC50 |
= |
8.0 |
nM |
282.38 |
O=C(CNC1CC2CCCC1C2)N1CCC[C@H]1C(O)O |
Homo sapiens |
CHEMBL880568 |
single protein format |
CHEMBL196461 |
OBDepict
CH
3
B
N
H
H
OH
HO
O
NH
2
H
H
2
N
|
IC50 |
= |
8.2 |
nM |
217.08 |
CCCC[C@@H](NC(=O)[C@@H](N)CN)B(O)O |
Homo sapiens |
CHEMBL881765 |
single protein format |
CHEMBL100715 |
OBDepict
H
2
N
N
H
H
N
O
|
IC50 |
= |
12.5 |
nM |
275.4 |
NCC[C@H](NCc1ccccc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL352343 |
OBDepict
O
O
N
H
H
H
Cl
NH
2
H
Cl
N
O
S
|
IC50 |
= |
14.0 |
nM |
418.35 |
N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@@H](OC(=O)Nc2ccc(Cl)c(Cl)c2)C1 |
Homo sapiens |
CHEMBL763143 |
single protein format |
CHEMBL371429 |
OBDepict
HO
B
OH
H
N
O
N
H
|
IC50 |
= |
15.0 |
nM |
240.11 |
O=C(CNC1CCCC1)N1CCC[C@H]1B(O)O |
Homo sapiens |
CHEMBL880568 |
single protein format |
CHEMBL67279 |
OBDepict
CH
3
CH
3
NH
2
H
N
O
H
B
HO
HO
|
IC50 |
= |
15.0 |
nM |
214.07 |
CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |
Homo sapiens |
CHEMBL884359 |
single protein format |
CHEMBL318212 |
OBDepict
H
2
N
N
H
H
N
O
HN
|
IC50 |
= |
17.0 |
nM |
268.4 |
NCC[C@H](NC1CCNCC1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL194249 |
OBDepict
CH
3
B
N
H
H
OH
HO
O
NH
2
H
H
3
C
|
IC50 |
= |
18.0 |
nM |
244.14 |
CCCC[C@@H](NC(=O)[C@@H](N)CCCC)B(O)O |
Homo sapiens |
CHEMBL881765 |
single protein format |
CHEMBL98097 |
OBDepict
O
N
NH
2
H
NH
|
IC50 |
= |
18.6 |
nM |
267.42 |
N[C@@H](CCNC1CCCCC1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL373665 |
OBDepict
H
N
H
CH
3
H
3
C
NH
2
H
N
O
Cl
|
IC50 |
= |
19.0 |
nM |
351.92 |
CC(C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL856334 |
single protein format |
CHEMBL305170 |
OBDepict
CH
3
CH
3
NH
2
H
N
O
H
B
HO
HO
|
IC50 |
= |
21.0 |
nM |
214.07 |
CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O |
Homo sapiens |
CHEMBL884359 |
single protein format |
CHEMBL171342 |
OBDepict
O
N
NH
2
H
H
H
HN
S
O
O
S
O
O
NH
2
|
IC50 |
= |
22.0 |
nM |
430.55 |
N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 |
Homo sapiens |
CHEMBL763143 |
single protein format |
CHEMBL316487 |
OBDepict
O
N
H
2
N
H
N
H
N
+
N
O
_
O
|
IC50 |
= |
23.5 |
nM |
307.35 |
N[C@@H](CCNc1ncccc1[N+](=O)[O-])C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL237119 |
OBDepict
F
H
NH
2
H
N
O
N
O
H
3
C
CH
3
H
F
|
IC50 |
= |
24.0 |
nM |
401.46 |
CN(C)C(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 |
Homo sapiens |
CHEMBL1023101 |
single protein format |
CHEMBL518144 |
OBDepict
N
H
N
H
N
O
+
N
NH
2
H
_
N
N
|
IC50 |
= |
25.0 |
nM |
517.64 |
N#C[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](N)CCCCN(c1cccc2ccccc12)c1cccc2ccccc12 |
Homo sapiens |
CHEMBL938687 |
single protein format |
CHEMBL352520 |
OBDepict
O
NH
N
H
H
H
NH
2
H
N
O
S
|
IC50 |
= |
26.0 |
nM |
398.53 |
N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)Nc2cccc3ccccc23)C1 |
Homo sapiens |
CHEMBL763143 |
single protein format |
CHEMBL1814759 |
OBDepict
O
N
H
H
2
N
H
N
O
N
F
F
ClH
|
IC50 |
= |
33.0 |
nM |
541.04 |
Cl.N[C@@H](CC(=O)NC1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1)C(=O)N1Cc2ccccc2C1 |
Homo sapiens |
CHEMBL1816904 |
single protein format |
CHEMBL472128 |
OBDepict
N
H
N
H
N
O
+
N
H
2
N
H
_
N
N
H
|
IC50 |
= |
34.0 |
nM |
391.48 |
N#C[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](N)CCCCNc1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL938687 |
single protein format |
CHEMBL381444 |
OBDepict
OH
B
HO
H
N
O
N
H
CH
3
CH
3
H
3
C
|
IC50 |
= |
35.0 |
nM |
348.3 |
CC12CC3(C)CC(C)(C1)CC(NCC(=O)N1CCC[C@@H]1B(O)O)(C2)C3 |
Homo sapiens |
CHEMBL880568 |
single protein format |
CHEMBL195189 |
OBDepict
CH
3
CH
3
NH
2
H
N
O
H
B
HO
HO
|
IC50 |
= |
38.0 |
nM |
214.07 |
CC(C)[C@H](N)C(=O)N1CCC[C@@H]1B(O)O |
Homo sapiens |
CHEMBL881765 |
single protein format |
CHEMBL146877 |
OBDepict
H
2
N
NH
2
N
O
H
N
|
IC50 |
= |
38.0 |
nM |
210.28 |
N#C[C@@H]1CCCCN1C(=O)C(N)CCN |
Homo sapiens |
CHEMBL666472 |
single protein format |
CHEMBL320672 |
OBDepict
H
2
N
NH
2
H
N
O
H
N
|
IC50 |
= |
38.0 |
nM |
210.28 |
N#C[C@@H]1CCCCN1C(=O)[C@@H](N)CCN |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL194250 |
OBDepict
CH
3
B
N
H
H
OH
HO
O
NH
2
H
CH
3
H
3
C
|
IC50 |
= |
40.0 |
nM |
230.12 |
CCCC[C@@H](NC(=O)[C@@H](N)C(C)C)B(O)O |
Homo sapiens |
CHEMBL881765 |
single protein format |
CHEMBL352354 |
OBDepict
CH
3
O
N
H
O
O
H
H
H
2
N
H
N
O
S
|
IC50 |
= |
43.0 |
nM |
379.48 |
COc1ccc(NC(=O)O[C@@H]2CC[C@H]([C@H](N)C(=O)N3CCSC3)C2)cc1 |
Homo sapiens |
CHEMBL763143 |
single protein format |
CHEMBL213514 |
OBDepict
Cl
N
H
H
H
2
N
H
N
O
|
IC50 |
= |
46.5 |
nM |
399.97 |
N[C@@H](C[C@@H](Cc1ccccc1)NCc1ccc(Cl)cc1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL856334 |
single protein format |
CHEMBL475654 |
OBDepict
O
N
NH
2
H
N
O
F
F
F
O
HO
ClH
|
IC50 |
= |
46.77 |
nM |
499.92 |
Cl.N[C@@H](CC(=O)N1CCCN(C(=O)c2cccc(C(=O)O)c2)CC1)Cc1cc(F)c(F)cc1F |
Homo sapiens |
CHEMBL1034781 |
single protein format |
CHEMBL195271 |
OBDepict
CH
3
B
N
H
H
OH
HO
O
NH
2
H
H
3
C
|
IC50 |
= |
49.0 |
nM |
216.09 |
CCCC[C@@H](NC(=O)[C@@H](N)CC)B(O)O |
Homo sapiens |
CHEMBL881765 |
single protein format |
CHEMBL354936 |
OBDepict
O
N
NH
2
H
H
H
N
H
S
O
O
S
N
O
O
H
3
C
H
3
C
|
IC50 |
= |
53.0 |
nM |
458.61 |
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@H]([C@H](N)C(=O)N3CCCC3)C2)cc1 |
Homo sapiens |
CHEMBL763143 |
single protein format |
CHEMBL99936 |
OBDepict
HO
N
O
NH
2
H
HN
Cl
|
IC50 |
= |
54.7 |
nM |
325.84 |
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCC(O)C1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL215824 |
OBDepict
H
N
H
H
3
C
H
2
N
H
N
O
Cl
|
IC50 |
= |
57.0 |
nM |
323.87 |
C[C@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL856334 |
single protein format |
CHEMBL63860 |
OBDepict
HO
B
OH
H
N
O
H
2
N
CH
3
H
|
IC50 |
= |
60.0 |
nM |
186.02 |
C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |
Homo sapiens |
CHEMBL884359 |
single protein format |
CHEMBL481466 |
OBDepict
N
H
N
H
N
O
+
N
H
2
N
H
_
N
N
|
IC50 |
= |
68.0 |
nM |
517.64 |
N#C[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](N)CCCCN(c1ccc2ccccc2c1)c1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL938687 |
single protein format |
CHEMBL196180 |
OBDepict
CH
3
B
N
H
H
OH
HO
O
NH
2
H
H
3
C
|
IC50 |
= |
71.0 |
nM |
230.12 |
CCCC[C@@H](NC(=O)[C@@H](N)CCC)B(O)O |
Homo sapiens |
CHEMBL881765 |
single protein format |
CHEMBL172631 |
OBDepict
O
O
N
H
H
H
F
NH
2
H
N
O
S
|
IC50 |
= |
75.0 |
nM |
367.45 |
N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@@H](OC(=O)Nc2cccc(F)c2)C1 |
Homo sapiens |
CHEMBL763143 |
single protein format |
CHEMBL214580 |
OBDepict
CH
3
H
3
C
N
H
H
H
2
N
H
N
O
Cl
|
IC50 |
= |
84.0 |
nM |
365.95 |
CCC(C)[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL856334 |
single protein format |
CHEMBL328197 |
OBDepict
O
N
NH
2
H
NH
N
H
|
IC50 |
= |
85.0 |
nM |
268.4 |
N[C@@H](CCNC1CCNCC1)C(=O)N1CCCCC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL510594 |
OBDepict
CH
3
CH
3
NH
2
H
N
O
S
H
B
HO
HO
|
IC50 |
= |
86.0 |
nM |
232.11 |
CC(C)[C@H](N)C(=O)N1CSC[C@H]1B(O)O |
Homo sapiens |
CHEMBL938687 |
single protein format |
CHEMBL4176189 |
OBDepict
CH
3
H
3
C
H
2
N
H
N
O
B
OH
HO
|
IC50 |
= |
86.0 |
nM |
214.07 |
CC(C)[C@H](N)C(=O)N1CCCC1B(O)O |
Homo sapiens |
CHEMBL4132762 |
single protein format |
CHEMBL479538 |
OBDepict
N
Cl
N
H
H
H
N
H
N
O
H
H
F
N
|
IC50 |
= |
96.0 |
nM |
387.85 |
N#Cc1c(Cl)cccc1N1C[C@H]2[C@H](NCC(=O)N3C[C@@H](F)C[C@H]3C#N)[C@H]2C1 |
Homo sapiens |
CHEMBL988354 |
single protein format |
CHEMBL370033 |
OBDepict
O
N
NH
2
H
CH
3
H
H
F
N
N
O
OH
O
F
F
F
|
IC50 |
= |
96.0 |
nM |
548.54 |
C[C@@H](c1ccc(-c2cccc(-c3noc(C4CC4)n3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL833028 |
single protein format |
CHEMBL475655 |
OBDepict
O
N
NH
2
H
N
O
F
F
N
F
O
HO
ClH
|
IC50 |
= |
99.43 |
nM |
500.91 |
Cl.N[C@@H](CC(=O)N1CCCN(C(=O)c2cncc(C(=O)O)c2)CC1)Cc1cc(F)c(F)cc1F |
Homo sapiens |
CHEMBL1034781 |
single protein format |
CHEMBL171430 |
OBDepict
O
O
N
H
H
H
NH
2
H
N
O
S
|
IC50 |
= |
110.0 |
nM |
399.52 |
N[C@@H](C(=O)N1CCSC1)[C@H]1CC[C@@H](OC(=O)Nc2cccc3ccccc23)C1 |
Homo sapiens |
CHEMBL763143 |
single protein format |
CHEMBL170051 |
OBDepict
O
O
HN
H
H
NH
2
H
I
N
O
|
IC50 |
= |
110.0 |
nM |
471.34 |
N[C@H](C(=O)N1CCCC1)[C@H]1CCC[C@H](OC(=O)Nc2ccc(I)cc2)C1 |
Homo sapiens |
CHEMBL763143 |
single protein format |
CHEMBL168281 |
OBDepict
O
N
NH
2
H
H
H
HN
S
O
O
S
O
O
F
F
F
|
IC50 |
= |
110.0 |
nM |
483.53 |
N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 |
Homo sapiens |
CHEMBL763143 |
single protein format |
CHEMBL415317 |
OBDepict
HO
N
O
NH
2
H
NH
Cl
|
IC50 |
= |
113.0 |
nM |
325.84 |
N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCC(O)CC1 |
Homo sapiens |
CHEMBL666614 |
single protein format |
CHEMBL520200 |
OBDepict
O
N
NH
2
H
NH
|
IC50 |
= |
117.0 |
nM |
337.47 |
N[C@@H](CCCCNCc1ccccc1)C(=O)N1Cc2ccccc2C1 |
Homo sapiens |
CHEMBL938683 |
single protein format |
CHEMBL427012 |
OBDepict
HO
B
HO
H
N
O
NH
|
IC50 |
= |
120.0 |
nM |
306.21 |
O=C(CNC1C2CC3CC(C2)CC1C3)N1CCC[C@@H]1B(O)O |
Homo sapiens |
CHEMBL880568 |
single protein format |
CHEMBL363175 |
OBDepict
OH
O
F
F
F
CH
3
O
O
H
3
C
H
NH
2
H
N
O
H
F
|
IC50 |
= |
120.0 |
nM |
512.5 |
CCOC(=O)c1ccc(-c2ccc([C@H](C)[C@H](N)C(=O)N3CC[C@H](F)C3)cc2)cc1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL833028 |
single protein format |