BDBM50402218 CHEMBL2204733

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

InChI Key: InChIKey=DYUXTUMLAFJFSB-QKNQBKEWSA-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 = 50402218   

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))	BDBM50402218 (CHEMBL2204733) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N(C)C |r| Show InChI InChI=1S/C26H40ClN5O3/c1-17(2)11-21(25(35)30(5)6)29-24(34)18-12-19(14-28-13-18)32-15-23(33)31(16-26(32,3)4)22-10-8-7-9-20(22)27/h7-10,17-19,21,28H,11-16H2,1-6H3,(H,29,34)/t18-,19+,21+/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	8.40	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)	BDBM50402218 (CHEMBL2204733) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N(C)C |r| Show InChI InChI=1S/C26H40ClN5O3/c1-17(2)11-21(25(35)30(5)6)29-24(34)18-12-19(14-28-13-18)32-15-23(33)31(16-26(32,3)4)22-10-8-7-9-20(22)27/h7-10,17-19,21,28H,11-16H2,1-6H3,(H,29,34)/t18-,19+,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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