BDBM50387280 CHEMBL2046465

SMILES: COCOc1ccccc1N1CC(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=IVUDLYCHNURAOH-ONTIZHBOSA-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 = 50387280   

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)	BDBM50387280 (CHEMBL2046465) Show SMILES COCOc1ccccc1N1CC(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/C28H47N5O6/c1-18(2)19(25(36)31-15-27(3,4)26(30)37)12-22(34)20(29)13-32-14-24(35)33(16-28(32,5)6)21-10-8-9-11-23(21)39-17-38-7/h8-11,18-20,22,34H,12-17,29H2,1-7H3,(H2,30,37)(H,31,36)/t19-,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	6.40	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))	BDBM50387280 (CHEMBL2046465) Show SMILES COCOc1ccccc1N1CC(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/C28H47N5O6/c1-18(2)19(25(36)31-15-27(3,4)26(30)37)12-22(34)20(29)13-32-14-24(35)33(16-28(32,5)6)21-10-8-9-11-23(21)39-17-38-7/h8-11,18-20,22,34H,12-17,29H2,1-7H3,(H2,30,37)(H,31,36)/t19-,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	1.40	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