BDBM50387261 CHEMBL2048701

SMILES: COc1ccc(Cl)c(c1)N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O

InChI Key: InChIKey=UZWXSJSYTVTQSU-VCOUNFBDSA-N

Data: 2 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 2 hits for monomerid = 50387261   

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 (Macaca fascicularis)	BDBM50387261 (CHEMBL2048701) Show SMILES COc1ccc(Cl)c(c1)N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C27H44ClN5O5/c1-16(2)18(24(36)31-14-26(3,4)25(30)37)11-22(34)20(29)12-32-13-23(35)33(15-27(32,5)6)21-10-17(38-7)8-9-19(21)28/h8-10,16,18,20,22,34H,11-15,29H2,1-7H3,(H2,30,37)(H,31,36)/t18-,20-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in cynomolgus monkey plasma				Bioorg Med Chem Lett 22: 4561-6 (2012) Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50387261 (CHEMBL2048701) Show SMILES COc1ccc(Cl)c(c1)N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)CC1=O |r| Show InChI InChI=1S/C27H44ClN5O5/c1-16(2)18(24(36)31-14-26(3,4)25(30)37)11-22(34)20(29)12-32-13-23(35)33(15-27(32,5)6)21-10-17(38-7)8-9-19(21)28/h8-10,16,18,20,22,34H,11-15,29H2,1-7H3,(H2,30,37)(H,31,36)/t18-,20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human purified renin				Bioorg Med Chem Lett 22: 4561-6 (2012) Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9
					More data for this Ligand-Target Pair