BDBM50022531 (+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4-yl-2-naphthalen-1-ylmethyl-4-oxo-butyrylamino)-propionylamino]-5-methyl-hexanoic acid isopropyl ester::2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4-yl-2-naphthalen-1-ylmethyl-4-oxo-butyrylamino)-propionylamino]-5-methyl-hexanoic acid isopropyl ester::CHEMBL348587

SMILES: CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C

InChI Key: InChIKey=LAQXJGUAIIHFMN-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50022531   

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))	BDBM50022531 ((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...) Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration was measured against plasma renin from human				J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB
					More data for this Ligand-Target Pair
Renin (Rattus norvegicus)	BDBM50022531 ((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...) Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration was measured against plasma renin from rat				J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022531 ((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...) Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against human renin				J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022531 ((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...) Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration was measured against plasma renin from dog				J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022531 ((+)2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholi...) Show SMILES CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against human renin				J Med Chem 31: 701-4 (1988) BindingDB Entry DOI: 10.7270/Q26H4GDB
					More data for this Ligand-Target Pair