BDBM50023086 Boc-Phe-His-Sta-Leu-1-hydroxy-1-phenyl-2-propylamide::CHEMBL300442

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)NC(C)C(O)c1ccccc1

InChI Key: InChIKey=KSHOHCPWQBYETG-RCSGAXFDSA-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 = 50023086   

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))	BDBM50023086 (Boc-Phe-His-Sta-Leu-1-hydroxy-1-phenyl-2-propylami...) 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)NC(C)C(O)c1ccccc1 Show InChI InChI=1S/C43H63N7O8/c1-26(2)19-32(36(51)23-37(52)47-33(20-27(3)4)39(54)46-28(5)38(53)30-17-13-10-14-18-30)48-41(56)35(22-31-24-44-25-45-31)49-40(55)34(21-29-15-11-9-12-16-29)50-42(57)58-43(6,7)8/h9-18,24-28,32-36,38,51,53H,19-23H2,1-8H3,(H,44,45)(H,46,54)(H,47,52)(H,48,56)(H,49,55)(H,50,57)/t28?,32?,33-,34-,35-,36?,38?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	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 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))	BDBM50023086 (Boc-Phe-His-Sta-Leu-1-hydroxy-1-phenyl-2-propylami...) 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)NC(C)C(O)c1ccccc1 Show InChI InChI=1S/C43H63N7O8/c1-26(2)19-32(36(51)23-37(52)47-33(20-27(3)4)39(54)46-28(5)38(53)30-17-13-10-14-18-30)48-41(56)35(22-31-24-44-25-45-31)49-40(55)34(21-29-15-11-9-12-16-29)50-42(57)58-43(6,7)8/h9-18,24-28,32-36,38,51,53H,19-23H2,1-8H3,(H,44,45)(H,46,54)(H,47,52)(H,48,56)(H,49,55)(H,50,57)/t28?,32?,33-,34-,35-,36?,38?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	67	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
Renin (Homo sapiens (Human))	BDBM50023086 (Boc-Phe-His-Sta-Leu-1-hydroxy-1-phenyl-2-propylami...) 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)NC(C)C(O)c1ccccc1 Show InChI InChI=1S/C43H63N7O8/c1-26(2)19-32(36(51)23-37(52)47-33(20-27(3)4)39(54)46-28(5)38(53)30-17-13-10-14-18-30)48-41(56)35(22-31-24-44-25-45-31)49-40(55)34(21-29-15-11-9-12-16-29)50-42(57)58-43(6,7)8/h9-18,24-28,32-36,38,51,53H,19-23H2,1-8H3,(H,44,45)(H,46,54)(H,47,52)(H,48,56)(H,49,55)(H,50,57)/t28?,32?,33-,34-,35-,36?,38?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	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