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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50224559'   
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))
BDBM50224559
PNG
(CHEMBL3216389)
Show SMILES Cl.Cl.COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C
Show InChI InChI=1S/C33H51N7O6.2ClH/c1-19(2)13-25(37-29(41)24(34)16-23-17-35-18-36-23)30(42)38-26(14-20(3)4)31(43)40-28(21(5)6)32(44)39-27(33(45)46-7)15-22-11-9-8-10-12-22;;/h8-12,17-21,24-28H,13-16,34H2,1-7H3,(H,35,36)(H,37,41)(H,38,42)(H,39,44)(H,40,43);2*1H/t24-,25-,26-,27-,28-;;/m0../s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.00E+4n/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))
BDBM50224559
PNG
(CHEMBL3216389)
Show SMILES Cl.Cl.COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C
Show InChI InChI=1S/C33H51N7O6.2ClH/c1-19(2)13-25(37-29(41)24(34)16-23-17-35-18-36-23)30(42)38-26(14-20(3)4)31(43)40-28(21(5)6)32(44)39-27(33(45)46-7)15-22-11-9-8-10-12-22;;/h8-12,17-21,24-28H,13-16,34H2,1-7H3,(H,35,36)(H,37,41)(H,38,42)(H,39,44)(H,40,43);2*1H/t24-,25-,26-,27-,28-;;/m0../s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human amniotic renin (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