BDBM50022530 3-[2-(3-Dimethylcarbamoyl-2-naphthalen-1-ylmethyl-propionylamino)-3-(1H-imidazol-4-yl)-propionylamino]-2-hydroxy-5-methyl-hexanoic acid methyl ester::CHEMBL350425

SMILES: COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N(C)C)Cc1cccc2ccccc12

InChI Key: InChIKey=RZMOWKJDMKEJNI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50022530   

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))	BDBM50022530 (3-[2-(3-Dimethylcarbamoyl-2-naphthalen-1-ylmethyl-...) Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N(C)C)Cc1cccc2ccccc12 Show InChI InChI=1S/C31H41N5O6/c1-19(2)13-25(28(38)31(41)42-5)34-30(40)26(16-23-17-32-18-33-23)35-29(39)22(15-27(37)36(3)4)14-21-11-8-10-20-9-6-7-12-24(20)21/h6-12,17-19,22,25-26,28,38H,13-16H2,1-5H3,(H,32,33)(H,34,40)(H,35,39)	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	78	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 (Homo sapiens (Human))	BDBM50022530 (3-[2-(3-Dimethylcarbamoyl-2-naphthalen-1-ylmethyl-...) Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N(C)C)Cc1cccc2ccccc12 Show InChI InChI=1S/C31H41N5O6/c1-19(2)13-25(28(38)31(41)42-5)34-30(40)26(16-23-17-32-18-33-23)35-29(39)22(15-27(37)36(3)4)14-21-11-8-10-20-9-6-7-12-24(20)21/h6-12,17-19,22,25-26,28,38H,13-16H2,1-5H3,(H,32,33)(H,34,40)(H,35,39)	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))	BDBM50022530 (3-[2-(3-Dimethylcarbamoyl-2-naphthalen-1-ylmethyl-...) Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N(C)C)Cc1cccc2ccccc12 Show InChI InChI=1S/C31H41N5O6/c1-19(2)13-25(28(38)31(41)42-5)34-30(40)26(16-23-17-32-18-33-23)35-29(39)22(15-27(37)36(3)4)14-21-11-8-10-20-9-6-7-12-24(20)21/h6-12,17-19,22,25-26,28,38H,13-16H2,1-5H3,(H,32,33)(H,34,40)(H,35,39)	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	64	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)	BDBM50022530 (3-[2-(3-Dimethylcarbamoyl-2-naphthalen-1-ylmethyl-...) Show SMILES COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N(C)C)Cc1cccc2ccccc12 Show InChI InChI=1S/C31H41N5O6/c1-19(2)13-25(28(38)31(41)42-5)34-30(40)26(16-23-17-32-18-33-23)35-29(39)22(15-27(37)36(3)4)14-21-11-8-10-20-9-6-7-12-24(20)21/h6-12,17-19,22,25-26,28,38H,13-16H2,1-5H3,(H,32,33)(H,34,40)(H,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 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