BDBM50402225 CHEMBL2204738

SMILES: CC[C@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl

InChI Key: InChIKey=LUUUJDHKZGQUKY-XUVXKRRUSA-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 = 50402225   

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))	BDBM50402225 (CHEMBL2204738) Show SMILES CC[C@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r| Show InChI InChI=1S/C25H39ClN4O2/c1-6-19(11-17(2)3)28-24(32)18-12-20(14-27-13-18)30-15-23(31)29(16-25(30,4)5)22-10-8-7-9-21(22)26/h7-10,17-20,27H,6,11-16H2,1-5H3,(H,28,32)/t18-,19+,20+/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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...				Bioorg Med Chem Lett 22: 7677-82 (2012) Article DOI: 10.1016/j.bmcl.2012.09.103 BindingDB Entry DOI: 10.7270/Q2HD7WTK
					More data for this Ligand-Target Pair
Renin (Macaca fascicularis)	BDBM50402225 (CHEMBL2204738) Show SMILES CC[C@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r| Show InChI InChI=1S/C25H39ClN4O2/c1-6-19(11-17(2)3)28-24(32)18-12-20(14-27-13-18)30-15-23(31)29(16-25(30,4)5)22-10-8-7-9-21(22)26/h7-10,17-20,27H,6,11-16H2,1-5H3,(H,28,32)/t18-,19+,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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 after 60 mins by competitive radioimmunoassay				Bioorg Med Chem Lett 22: 7677-82 (2012) Article DOI: 10.1016/j.bmcl.2012.09.103 BindingDB Entry DOI: 10.7270/Q2HD7WTK
					More data for this Ligand-Target Pair