BDBM50012951 4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4-yl-2-naphthalen-1-ylmethyl-4-oxo-butyrylamino)-propionylamino]-butyric acid isopropyl ester::CHEMBL3350322::CHEMBL91826

SMILES: CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12

InChI Key: InChIKey=NQXSBCTYTMQGGJ-PSPBILMESA-N

Data: 6 IC50

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 6 hits for monomerid = 50012951   

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))	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Chymotrypsin C (Homo sapiens (Human))	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of Angiotensin I converting enzyme from rabbit.				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of human plasma renin				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of Cathepsin D from bovine				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of pepsin from porcine				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair