BDBM50402226 CHEMBL2204737

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

InChI Key: InChIKey=OIPASSZLGANZOF-ZWKOTPCHSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50402226   

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))	BDBM50402226 (CHEMBL2204737) Show SMILES CC(C)CCNC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r| Show InChI InChI=1S/C23H35ClN4O2/c1-16(2)9-10-26-22(30)17-11-18(13-25-12-17)28-14-21(29)27(15-23(28,3)4)20-8-6-5-7-19(20)24/h5-8,16-18,25H,9-15H2,1-4H3,(H,26,30)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.70	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				3D Structure (crystal)
Renin (Macaca fascicularis)	BDBM50402226 (CHEMBL2204737) Show SMILES CC(C)CCNC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r| Show InChI InChI=1S/C23H35ClN4O2/c1-16(2)9-10-26-22(30)17-11-18(13-25-12-17)28-14-21(29)27(15-23(28,3)4)20-8-6-5-7-19(20)24/h5-8,16-18,25H,9-15H2,1-4H3,(H,26,30)/t17-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	54	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				3D Structure (crystal)