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BDBM50023089 Boc-Phe-His-Sta-Leu-p-chlorobenzylamide::CHEMBL301129

SMILES: CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(Cl)cc1

InChI Key: InChIKey=PNZRYJNQFXMDNY-DMCQDZEQSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50023089   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50023089
PNG
(Boc-Phe-His-Sta-Leu-p-chlorobenzylamide | CHEMBL30...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C41H58ClN7O7/c1-25(2)17-31(35(50)21-36(51)46-32(18-26(3)4)37(52)44-22-28-13-15-29(42)16-14-28)47-39(54)34(20-30-23-43-24-45-30)48-38(53)33(19-27-11-9-8-10-12-27)49-40(55)56-41(5,6)7/h8-16,23-26,31-35,50H,17-22H2,1-7H3,(H,43,45)(H,44,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)/t31?,32-,33-,34-,35?/m0/s1
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Article
PubMed
50n/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))
BDBM50023089
PNG
(Boc-Phe-His-Sta-Leu-p-chlorobenzylamide | CHEMBL30...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C41H58ClN7O7/c1-25(2)17-31(35(50)21-36(51)46-32(18-26(3)4)37(52)44-22-28-13-15-29(42)16-14-28)47-39(54)34(20-30-23-43-24-45-30)48-38(53)33(19-27-11-9-8-10-12-27)49-40(55)56-41(5,6)7/h8-16,23-26,31-35,50H,17-22H2,1-7H3,(H,43,45)(H,44,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)/t31?,32-,33-,34-,35?/m0/s1
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240n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney renin, fluorometric assay 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
Renin


(Homo sapiens (Human))
BDBM50023089
PNG
(Boc-Phe-His-Sta-Leu-p-chlorobenzylamide | CHEMBL30...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C41H58ClN7O7/c1-25(2)17-31(35(50)21-36(51)46-32(18-26(3)4)37(52)44-22-28-13-15-29(42)16-14-28)47-39(54)34(20-30-23-43-24-45-30)48-38(53)33(19-27-11-9-8-10-12-27)49-40(55)56-41(5,6)7/h8-16,23-26,31-35,50H,17-22H2,1-7H3,(H,43,45)(H,44,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)/t31?,32-,33-,34-,35?/m0/s1
PDB
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PC sid
UniChem

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Article
PubMed
280n/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 the natural substrate partially pure angiotensinogen 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