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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50023088'   
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))
BDBM50023088
PNG
(Boc-Phe-His-Sta-Leu-p-methoxybenzylamide | CHEMBL5...)
Show SMILES COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C42H61N7O8/c1-26(2)18-32(36(50)22-37(51)46-33(19-27(3)4)38(52)44-23-29-14-16-31(56-8)17-15-29)47-40(54)35(21-30-24-43-25-45-30)48-39(53)34(20-28-12-10-9-11-13-28)49-41(55)57-42(5,6)7/h9-17,24-27,32-36,50H,18-23H2,1-8H3,(H,43,45)(H,44,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)/t32?,33-,34-,35-,36?/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at 10e-9 M concentration


J Med Chem 30: 1853-7 (1987)


Article DOI: 10.1021/jm00393a029
BindingDB Entry DOI: 10.7270/Q2C24VDZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023088
PNG
(Boc-Phe-His-Sta-Leu-p-methoxybenzylamide | CHEMBL5...)
Show SMILES COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C42H61N7O8/c1-26(2)18-32(36(50)22-37(51)46-33(19-27(3)4)38(52)44-23-29-14-16-31(56-8)17-15-29)47-40(54)35(21-30-24-43-25-45-30)48-39(53)34(20-28-12-10-9-11-13-28)49-41(55)57-42(5,6)7/h9-17,24-27,32-36,50H,18-23H2,1-8H3,(H,43,45)(H,44,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)/t32?,33-,34-,35-,36?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney renin, radioimmunoassay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentration


J Med Chem 30: 1853-7 (1987)


Article DOI: 10.1021/jm00393a029
BindingDB Entry DOI: 10.7270/Q2C24VDZ
More data for this
Ligand-Target Pair