Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50259423' 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)) | BDBM50259423
((1R,5S)-7-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phe...)Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CNC[C@@H](C1)N2)C(=O)N(C)Cc1ccccc1Cl |r,wU:22.31,wD:26.30,t:22,TLB:17:20:28:24.23.25,THB:29:21:28:24.23.25,(20.93,-3.9,;21.7,-2.57,;20.93,-1.23,;21.69,.1,;20.91,1.43,;19.37,1.41,;18.61,.08,;19.38,-1.23,;18.61,-2.57,;17.07,-2.57,;16.31,-3.91,;14.77,-3.92,;14.01,-5.26,;12.47,-5.26,;11.7,-6.6,;12.48,-7.93,;11.71,-9.27,;10.17,-9.27,;9.4,-7.95,;10.15,-6.61,;9.2,-9.62,;8.22,-10.03,;8.94,-11.53,;10.75,-11.86,;11.86,-11.24,;11.32,-12.71,;9.6,-12.37,;9.89,-11.01,;8.4,-13,;6.68,-9.97,;5.96,-8.61,;5.86,-11.28,;6.58,-12.64,;4.32,-11.22,;3.5,-12.52,;4.23,-13.87,;3.42,-15.18,;1.88,-15.13,;1.15,-13.77,;1.97,-12.46,;1.25,-11.1,)| Show InChI InChI=1S/C33H38ClN3O4/c1-37(21-24-8-3-5-10-29(24)34)33(38)32-28(18-26-19-35-20-30(32)36-26)23-12-14-27(15-13-23)41-17-7-16-40-22-25-9-4-6-11-31(25)39-2/h3-6,8-15,26,30,35-36H,7,16-22H2,1-2H3/t26-,30-/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 | 6.80 | 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)) | BDBM50259423
((1R,5S)-7-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phe...)Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CNC[C@@H](C1)N2)C(=O)N(C)Cc1ccccc1Cl |r,wU:22.31,wD:26.30,t:22,TLB:17:20:28:24.23.25,THB:29:21:28:24.23.25,(20.93,-3.9,;21.7,-2.57,;20.93,-1.23,;21.69,.1,;20.91,1.43,;19.37,1.41,;18.61,.08,;19.38,-1.23,;18.61,-2.57,;17.07,-2.57,;16.31,-3.91,;14.77,-3.92,;14.01,-5.26,;12.47,-5.26,;11.7,-6.6,;12.48,-7.93,;11.71,-9.27,;10.17,-9.27,;9.4,-7.95,;10.15,-6.61,;9.2,-9.62,;8.22,-10.03,;8.94,-11.53,;10.75,-11.86,;11.86,-11.24,;11.32,-12.71,;9.6,-12.37,;9.89,-11.01,;8.4,-13,;6.68,-9.97,;5.96,-8.61,;5.86,-11.28,;6.58,-12.64,;4.32,-11.22,;3.5,-12.52,;4.23,-13.87,;3.42,-15.18,;1.88,-15.13,;1.15,-13.77,;1.97,-12.46,;1.25,-11.1,)| Show InChI InChI=1S/C33H38ClN3O4/c1-37(21-24-8-3-5-10-29(24)34)33(38)32-28(18-26-19-35-20-30(32)36-26)23-12-14-27(15-13-23)41-17-7-16-40-22-25-9-4-6-11-31(25)39-2/h3-6,8-15,26,30,35-36H,7,16-22H2,1-2H3/t26-,30-/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 | 129 | 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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