Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50259427' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Renin
(Homo sapiens (Human)) | BDBM50259427
((1R,5S)-3-Acetyl-7-{4-[3-(2-methoxy-benzyloxy)-pro...)Show SMILES [H][C@@]12CN(C[C@@]([H])(N1)C(C(=O)N(C)CCCc1ccccc1)=C(C2)c1ccc(OCCCOCc2ccccc2OC)cc1)C(C)=O |r,wU:1.0,wD:5.5,c:23,TLB:24:22:7:3.4.2,THB:9:8:7:3.4.2,44:3:7:8.22.23,(10.13,-13.82,;10.13,-12.28,;11.84,-12.62,;12.38,-11.15,;11.27,-11.77,;9.46,-11.44,;7.92,-11.44,;8.93,-12.91,;8.75,-9.93,;7.21,-9.88,;6.49,-8.52,;6.39,-11.18,;7.11,-12.54,;4.85,-11.13,;4.03,-12.43,;2.49,-12.38,;1.68,-13.68,;.14,-13.62,;-.67,-14.92,;.05,-16.28,;1.59,-16.33,;2.4,-15.03,;9.78,-9.62,;10.48,-10.9,;10.7,-9.17,;12.24,-9.17,;13.01,-7.84,;12.23,-6.51,;13,-5.17,;14.54,-5.16,;15.3,-3.83,;16.84,-3.82,;17.6,-2.48,;19.14,-2.47,;19.91,-1.14,;19.14,.18,;19.9,1.5,;21.44,1.52,;22.22,.19,;21.46,-1.14,;22.23,-2.47,;21.46,-3.81,;10.68,-6.52,;9.92,-7.85,;13.69,-10.32,;15.05,-11.04,;13.62,-8.78,)| Show InChI InChI=1S/C37H45N3O5/c1-27(41)40-24-31-23-33(36(34(25-40)38-31)37(42)39(2)20-9-13-28-11-5-4-6-12-28)29-16-18-32(19-17-29)45-22-10-21-44-26-30-14-7-8-15-35(30)43-3/h4-8,11-12,14-19,31,34,38H,9-10,13,20-26H2,1-3H3/t31-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay |
J Med Chem 52: 3689-702 (2009)
Article DOI: 10.1021/jm900022f
BindingDB Entry DOI: 10.7270/Q2PC3391 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50259427
((1R,5S)-3-Acetyl-7-{4-[3-(2-methoxy-benzyloxy)-pro...)Show SMILES [H][C@@]12CN(C[C@@]([H])(N1)C(C(=O)N(C)CCCc1ccccc1)=C(C2)c1ccc(OCCCOCc2ccccc2OC)cc1)C(C)=O |r,wU:1.0,wD:5.5,c:23,TLB:24:22:7:3.4.2,THB:9:8:7:3.4.2,44:3:7:8.22.23,(10.13,-13.82,;10.13,-12.28,;11.84,-12.62,;12.38,-11.15,;11.27,-11.77,;9.46,-11.44,;7.92,-11.44,;8.93,-12.91,;8.75,-9.93,;7.21,-9.88,;6.49,-8.52,;6.39,-11.18,;7.11,-12.54,;4.85,-11.13,;4.03,-12.43,;2.49,-12.38,;1.68,-13.68,;.14,-13.62,;-.67,-14.92,;.05,-16.28,;1.59,-16.33,;2.4,-15.03,;9.78,-9.62,;10.48,-10.9,;10.7,-9.17,;12.24,-9.17,;13.01,-7.84,;12.23,-6.51,;13,-5.17,;14.54,-5.16,;15.3,-3.83,;16.84,-3.82,;17.6,-2.48,;19.14,-2.47,;19.91,-1.14,;19.14,.18,;19.9,1.5,;21.44,1.52,;22.22,.19,;21.46,-1.14,;22.23,-2.47,;21.46,-3.81,;10.68,-6.52,;9.92,-7.85,;13.69,-10.32,;15.05,-11.04,;13.62,-8.78,)| Show InChI InChI=1S/C37H45N3O5/c1-27(41)40-24-31-23-33(36(34(25-40)38-31)37(42)39(2)20-9-13-28-11-5-4-6-12-28)29-16-18-32(19-17-29)45-22-10-21-44-26-30-14-7-8-15-35(30)43-3/h4-8,11-12,14-19,31,34,38H,9-10,13,20-26H2,1-3H3/t31-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay |
J Med Chem 52: 3689-702 (2009)
Article DOI: 10.1021/jm900022f
BindingDB Entry DOI: 10.7270/Q2PC3391 |
More data for this
Ligand-Target Pair | |
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