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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50224558'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50224558
PNG
(CHEMBL3216383)
Show SMILES Cl.Cl.COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CC(O)CC(CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C
Show InChI InChI=1S/C30H46N6O6.2ClH/c1-18(2)11-21(34-28(39)24(31)14-22-16-32-17-33-22)13-23(37)15-26(38)36-27(19(3)4)29(40)35-25(30(41)42-5)12-20-9-7-6-8-10-20;;/h6-10,16-19,21,23-25,27,37H,11-15,31H2,1-5H3,(H,32,33)(H,34,39)(H,35,40)(H,36,38);2*1H/t21?,23?,24-,25+,27+;;/m0../s1
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PC cid
PC sid
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Similars

Article
PubMed
7.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against hog kidney renin (Non-competitive inhibition)


J Med Chem 26: 1457-62 (1983)


Article DOI: 10.1021/jm00364a019
BindingDB Entry DOI: 10.7270/Q2KH0NX1
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50224558
PNG
(CHEMBL3216383)
Show SMILES Cl.Cl.COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CC(O)CC(CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C
Show InChI InChI=1S/C30H46N6O6.2ClH/c1-18(2)11-21(34-28(39)24(31)14-22-16-32-17-33-22)13-23(37)15-26(38)36-27(19(3)4)29(40)35-25(30(41)42-5)12-20-9-7-6-8-10-20;;/h6-10,16-19,21,23-25,27,37H,11-15,31H2,1-5H3,(H,32,33)(H,34,39)(H,35,40)(H,36,38);2*1H/t21?,23?,24-,25+,27+;;/m0../s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against hog kidney renin (Non-competitive inhibition)


J Med Chem 26: 1457-62 (1983)


Article DOI: 10.1021/jm00364a019
BindingDB Entry DOI: 10.7270/Q2KH0NX1
More data for this
Ligand-Target Pair