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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50023089   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50023089 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023089 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023089 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair