molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL593171 |
|
IC50 |
= |
0.7 |
nM |
458.44 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1c(F)ccc(F)c1F |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL487451 |
OBDepict
F
F
F
NH
N
N
N
H
O
NH
2
N
O
|
IC50 |
= |
0.7 |
nM |
458.44 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1c(F)cc(F)cc1F |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL470963 |
OBDepict
H
2
N
O
N
HN
N
N
H
F
N
O
|
IC50 |
= |
1.4 |
nM |
422.46 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccccc1F |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL488814 |
OBDepict
F
F
NH
N
N
N
H
O
NH
2
N
O
|
IC50 |
= |
1.6 |
nM |
440.45 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cc(F)ccc1F |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL519249 |
OBDepict
F
F
NH
F
N
N
N
H
O
NH
2
N
O
|
IC50 |
= |
1.8 |
nM |
458.44 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cc(F)cc(F)c1F |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL512874 |
OBDepict
F
HN
N
N
N
H
O
H
2
N
N
O
|
IC50 |
= |
1.8 |
nM |
422.46 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cccc(F)c1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL595058 |
OBDepict
NH
2
O
N
N
N
H
N
N
N
F
F
|
IC50 |
= |
1.9 |
nM |
477.52 |
NC(=O)CN1CCN(c2ccc(Nc3ncc4ccn(Cc5cc(F)cc(F)c5)c4n3)cc2)CC1 |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL529443 |
OBDepict
H
2
N
O
N
HN
N
N
H
F
F
N
O
|
IC50 |
= |
2.1 |
nM |
440.45 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cccc(F)c1F |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL519410 |
OBDepict
NH
2
O
N
NH
N
N
H
F
F
N
O
|
IC50 |
= |
2.2 |
nM |
440.45 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1c(F)cccc1F |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL596420 |
OBDepict
CH
3
N
N
N
H
N
N
N
F
F
|
IC50 |
= |
3.2 |
nM |
434.49 |
CN1CCN(c2ccc(Nc3ncc4ccn(Cc5cc(F)cc(F)c5)c4n3)cc2)CC1 |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL606350 |
OBDepict
CH
3
HN
O
N
N
N
H
N
N
N
F
F
|
IC50 |
= |
4.7 |
nM |
491.55 |
CNC(=O)CN1CCN(c2ccc(Nc3ncc4ccn(Cc5cc(F)cc(F)c5)c4n3)cc2)CC1 |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL487450 |
OBDepict
F
F
HN
N
N
N
H
O
H
2
N
N
O
|
IC50 |
= |
5.5 |
nM |
440.45 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cc(F)cc(F)c1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL596421 |
OBDepict
OH
N
N
N
H
N
N
N
N
F
F
|
IC50 |
= |
5.6 |
nM |
465.51 |
OCCN1CCN(c2ccc(Nc3ncc4ncn(Cc5cc(F)cc(F)c5)c4n3)cc2)CC1 |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL470949 |
OBDepict
CH
3
N
N
N
H
N
N
N
H
O
NH
2
|
IC50 |
= |
6.2 |
nM |
417.52 |
CN1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCc4ccccc4)n3)cc2)CC1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL471114 |
OBDepict
NH
2
O
N
N
H
N
NH
N
O
|
IC50 |
= |
6.5 |
nM |
404.47 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL471113 |
OBDepict
NH
2
O
N
N
H
N
NH
N
HN
|
IC50 |
= |
7.0 |
nM |
403.49 |
NC(=O)c1cnc(Nc2ccc(N3CCNCC3)cc2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL471131 |
OBDepict
H
2
N
O
N
HN
N
N
H
Cl
N
O
|
IC50 |
= |
7.9 |
nM |
438.92 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccccc1Cl |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL469910 |
OBDepict
CH
3
O
N
H
N
N
NH
O
H
2
N
N
O
|
IC50 |
= |
8.2 |
nM |
434.5 |
COc1ccccc1CNc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1C(N)=O |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL512533 |
OBDepict
NH
2
O
N
HN
N
N
H
CH
3
N
O
|
IC50 |
= |
11.0 |
nM |
418.5 |
Cc1ccccc1CNc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1C(N)=O |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL594344 |
OBDepict
F
F
N
N
N
N
H
N
HN
|
IC50 |
= |
12.0 |
nM |
420.47 |
Fc1cc(F)cc(Cn2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)c1 |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL517122 |
OBDepict
HO
N
N
H
N
N
N
H
O
NH
2
|
IC50 |
= |
16.0 |
nM |
418.5 |
NC(=O)c1cnc(Nc2ccc(N3CCC(O)CC3)cc2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL513401 |
OBDepict
CH
3
N
N
H
N
N
N
H
O
NH
2
|
IC50 |
= |
17.0 |
nM |
416.53 |
CN1CCC(c2ccc(Nc3ncc(C(N)=O)c(NCc4ccccc4)n3)cc2)CC1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL487460 |
OBDepict
HO
HN
N
N
N
H
O
H
2
N
N
O
|
IC50 |
= |
19.0 |
nM |
420.47 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cccc(O)c1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL228192 |
OBDepict
NH
2
O
N
HN
N
NH
Cl
OH
|
IC50 |
= |
21.0 |
nM |
397.87 |
NC(=O)c1cnc(NCCc2ccc(O)c(Cl)c2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL471130 |
OBDepict
H
2
N
O
N
HN
N
N
H
OH
N
O
|
IC50 |
= |
22.0 |
nM |
420.47 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccccc1O |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL486643 |
OBDepict
CH
3
S
N
H
N
N
NH
O
H
2
N
N
O
|
IC50 |
= |
23.0 |
nM |
450.57 |
CSc1ccccc1CNc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1C(N)=O |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL512519 |
OBDepict
NH
2
O
N
NH
N
N
H
F
F
F
N
O
|
IC50 |
= |
25.0 |
nM |
472.47 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccccc1C(F)(F)F |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL471743 |
OBDepict
CH
3
O
N
H
N
N
HN
O
NH
2
N
O
|
IC50 |
= |
25.0 |
nM |
434.5 |
COc1cccc(CNc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2C(N)=O)c1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL595488 |
OBDepict
OH
O
N
N
N
H
N
N
N
F
F
|
IC50 |
= |
26.0 |
nM |
478.5 |
O=C(O)CN1CCN(c2ccc(Nc3ncc4ccn(Cc5cc(F)cc(F)c5)c4n3)cc2)CC1 |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL226930 |
OBDepict
CH
3
HN
O
N
HN
N
NH
Cl
OH
|
IC50 |
= |
30.0 |
nM |
411.89 |
CNC(=O)c1cnc(NCCc2ccc(O)c(Cl)c2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL594821 |
OBDepict
NH
2
N
N
N
H
N
N
N
F
F
|
IC50 |
= |
34.0 |
nM |
463.54 |
NCCN1CCN(c2ccc(Nc3ncc4ccn(Cc5cc(F)cc(F)c5)c4n3)cc2)CC1 |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL471559 |
OBDepict
Cl
HN
N
N
N
H
O
H
2
N
N
O
|
IC50 |
= |
36.0 |
nM |
438.92 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cccc(Cl)c1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL603203 |
OBDepict
F
N
N
N
N
H
N
O
|
IC50 |
= |
37.0 |
nM |
403.46 |
Fc1cccc(Cn2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1 |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL520234 |
OBDepict
NH
2
O
N
NH
N
N
H
+
N
O
_
O
N
O
|
IC50 |
= |
38.0 |
nM |
449.47 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccccc1[N+](=O)[O-] |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL228018 |
OBDepict
H
3
C
HN
N
N
H
N
O
NH
2
Cl
OH
|
IC50 |
= |
45.0 |
nM |
397.87 |
Cc1cccc(Nc2nc(NCCc3ccc(O)c(Cl)c3)ncc2C(N)=O)c1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL518350 |
OBDepict
NH
2
O
N
HN
N
NH
Cl
Cl
OH
|
IC50 |
= |
61.0 |
nM |
432.31 |
NC(=O)c1cnc(NCCc2cc(Cl)c(O)c(Cl)c2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL387668 |
OBDepict
H
3
C
HN
N
N
H
N
O
NH
2
F
OH
|
IC50 |
= |
64.0 |
nM |
381.41 |
Cc1cccc(Nc2nc(NCCc3ccc(O)c(F)c3)ncc2C(N)=O)c1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL461721 |
OBDepict
OH
N
H
N
N
N
H
O
NH
2
|
IC50 |
= |
81.0 |
nM |
377.45 |
NC(=O)c1cnc(Nc2ccc(CCCO)cc2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL389647 |
OBDepict
H
3
C
HN
N
N
H
N
O
NH
2
Br
OH
|
IC50 |
= |
83.0 |
nM |
442.32 |
Cc1cccc(Nc2nc(NCCc3ccc(O)c(Br)c3)ncc2C(N)=O)c1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL374380 |
OBDepict
HO
HN
N
N
NH
O
NH
2
|
IC50 |
= |
88.0 |
nM |
363.42 |
NC(=O)c1cnc(NCCc2ccc(O)cc2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL488307 |
OBDepict
F
F
F
NH
N
N
N
H
O
NH
2
N
O
ClH
|
IC50 |
= |
88.0 |
nM |
494.91 |
Cl.NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1c(F)cc(F)cc1F |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL461720 |
OBDepict
OH
NH
N
N
N
H
O
H
2
N
|
IC50 |
= |
95.0 |
nM |
363.42 |
NC(=O)c1cnc(Nc2ccc(CCO)cc2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL458325 |
OBDepict
OH
N
N
H
N
N
HN
O
NH
2
|
IC50 |
= |
98.0 |
nM |
404.47 |
NC(=O)c1cnc(Nc2ccc(N3CCC(O)C3)cc2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL427436 |
OBDepict
OH
NH
N
N
HN
O
H
2
N
|
IC50 |
= |
100.0 |
nM |
355.44 |
NC(=O)c1cnc(NCCc2ccc(O)cc2)nc1NC1CCCCC1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL3741674 |
OBDepict
O
N
H
H
CH
3
H
3
C
H
3
C
CH
3
N
H
O
CH
3
H
N
O
O
H
3
C
P
O
OH
OH
|
IC50 |
= |
120.0 |
nM |
531.55 |
C/C(=CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N(C)c1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL596223 |
OBDepict
F
F
N
N
N
N
H
N
O
|
IC50 |
= |
120.0 |
nM |
421.45 |
Fc1cc(F)cc(Cn2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1 |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL461304 |
OBDepict
NH
2
O
N
N
H
N
NH
N
|
IC50 |
= |
120.0 |
nM |
402.5 |
NC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL3739524 |
OBDepict
O
N
H
H
CH
3
H
3
C
H
3
C
CH
3
N
O
H
N
O
O
H
3
C
P
O
OH
OH
|
IC50 |
= |
120.0 |
nM |
557.58 |
C/C(=CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)c1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL471560 |
OBDepict
H
2
N
O
N
HN
N
N
H
F
F
F
N
O
|
IC50 |
= |
130.0 |
nM |
472.47 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cccc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL226770 |
OBDepict
H
3
C
HN
N
N
H
N
O
NH
2
H
3
C
OH
|
IC50 |
= |
130.0 |
nM |
377.45 |
Cc1cccc(Nc2nc(NCCc3ccc(O)c(C)c3)ncc2C(N)=O)c1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL227748 |
OBDepict
CH
3
HN
O
N
N
H
N
NH
CH
3
HO
|
IC50 |
= |
170.0 |
nM |
377.45 |
CNC(=O)c1cnc(NCCc2ccc(O)cc2)nc1Nc1cccc(C)c1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL376085 |
OBDepict
OH
N
H
N
N
NH
O
NH
2
CH
3
|
IC50 |
= |
190.0 |
nM |
363.42 |
Cc1cccc(Nc2nc(NCCc3ccc(O)cc3)ncc2C(N)=O)c1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL596410 |
OBDepict
F
N
N
N
N
H
N
O
|
IC50 |
= |
220.0 |
nM |
403.46 |
Fc1ccccc1Cn1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21 |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL3741189 |
OBDepict
O
N
H
H
CH
3
H
3
C
H
3
C
CH
3
N
O
H
N
O
O
H
3
C
P
O
OH
OH
|
IC50 |
= |
230.0 |
nM |
563.63 |
C/C(=CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)C1CCCCC1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL3739968 |
OBDepict
O
N
H
H
CH
3
H
3
C
H
3
C
CH
3
N
O
H
NH
O
O
P
O
OH
OH
|
IC50 |
= |
250.0 |
nM |
571.61 |
C/C(=CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL3740710 |
OBDepict
O
N
H
H
CH
3
H
3
C
H
3
C
CH
3
N
O
H
NH
O
O
P
O
OH
OH
|
IC50 |
= |
270.0 |
nM |
543.56 |
C/C(=CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL3741243 |
OBDepict
O
N
H
H
CH
3
H
3
C
H
3
C
CH
3
N
O
H
3
C
N
O
O
H
3
C
P
O
OH
OH
|
IC50 |
= |
270.0 |
nM |
531.55 |
C/C(=CC(=O)N[C@H](C(=O)N(C)CC(=O)N(C)c1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL487634 |
OBDepict
H
2
N
O
N
HN
N
N
H
NH
2
N
O
|
IC50 |
= |
310.0 |
nM |
419.49 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccccc1N |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL488649 |
OBDepict
F
F
N
H
N
N
HN
O
H
2
N
N
O
|
IC50 |
= |
310.0 |
nM |
440.45 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccc(F)cc1F |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL3739875 |
OBDepict
O
N
H
H
CH
3
H
3
C
H
3
C
CH
3
N
O
H
NH
O
O
P
O
OH
OH
|
IC50 |
= |
340.0 |
nM |
557.58 |
C/C(=CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL389452 |
OBDepict
CH
3
N
H
O
N
NH
N
N
H
CH
3
HO
|
IC50 |
= |
380.0 |
nM |
391.48 |
CCNC(=O)c1cnc(NCCc2ccc(O)cc2)nc1Nc1cccc(C)c1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL3739525 |
OBDepict
CH
3
N
O
H
3
C
H
N
O
N
H
H
H
3
C
CH
3
H
3
C
O
CH
3
O
P
O
OH
OH
|
IC50 |
= |
380.0 |
nM |
523.57 |
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)/C=C(C)c1ccc(OP(=O)(O)O)cc1)C(C)(C)C |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL593392 |
OBDepict
O
N
N
H
N
N
N
|
IC50 |
= |
400.0 |
nM |
385.47 |
c1ccc(Cn2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)cc1 |
Homo sapiens |
CHEMBL1042440 |
assay format |
CHEMBL3742269 |
OBDepict
O
N
H
H
CH
3
H
3
C
H
3
C
CH
3
N
O
N
O
H
3
C
P
O
OH
OH
|
IC50 |
= |
410.0 |
nM |
543.6 |
C/C(=CC(=O)N[C@H](C(=O)N1CCCC1CN(C)c1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL227804 |
OBDepict
OH
NH
N
N
HN
O
H
2
N
|
IC50 |
= |
410.0 |
nM |
349.39 |
NC(=O)c1cnc(NCCc2ccc(O)cc2)nc1Nc1ccccc1 |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL3740699 |
OBDepict
O
N
H
H
CH
3
H
3
C
H
3
C
CH
3
N
O
H
3
C
CH
3
H
N
O
O
H
3
C
P
O
OH
OH
|
IC50 |
= |
480.0 |
nM |
545.57 |
C/C(=CC(=O)N[C@H](C(=O)N(C)[C@@H](C)C(=O)N(C)c1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL3740610 |
OBDepict
O
N
H
H
CH
3
H
3
C
H
3
C
CH
3
N
O
O
P
O
OH
OH
|
IC50 |
= |
540.0 |
nM |
554.62 |
C/C(=CC(=O)N[C@H](C(=O)N1CCCC1/C=C/CCc1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL461303 |
OBDepict
NH
2
O
N
N
H
N
NH
N
|
IC50 |
= |
650.0 |
nM |
388.48 |
NC(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)nc1NCc1ccccc1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL470964 |
OBDepict
F
N
H
N
N
NH
O
NH
2
N
O
|
IC50 |
= |
650.0 |
nM |
422.46 |
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccc(F)cc1 |
Homo sapiens |
CHEMBL982109 |
cell-based format |
CHEMBL388357 |
OBDepict
CH
3
O
OH
N
H
N
N
HN
O
H
2
N
CH
3
|
IC50 |
= |
660.0 |
nM |
393.45 |
COc1cc(CCNc2ncc(C(N)=O)c(Nc3cccc(C)c3)n2)ccc1O |
Homo sapiens |
CHEMBL915562 |
assay format |
CHEMBL3741667 |
OBDepict
O
N
H
H
CH
3
H
3
C
H
3
C
CH
3
N
O
H
N
O
O
H
3
C
H
3
C
P
O
OH
OH
|
IC50 |
= |
740.0 |
nM |
495.51 |
C/C(=CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)C)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |
CHEMBL3740611 |
OBDepict
O
N
H
H
H
3
C
H
3
C
CH
3
N
O
H
N
O
O
CH
3
P
O
OH
OH
|
IC50 |
= |
870.0 |
nM |
543.56 |
CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(C)(C)C)c1ccccc1 |
Homo sapiens |
CHEMBL3743438 |
assay format |