BDBM50434445 CHEMBL2387547

SMILES: CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccccn1

InChI Key: InChIKey=HXIYKPJHHVMGIL-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 = 50434445   

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)	BDBM50434445 (CHEMBL2387547) Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccccn1 |r| Show InChI InChI=1S/C26H36ClN5O3/c1-17(2)18(25(35)30-23-11-7-8-12-29-23)13-22(33)20(28)14-31-15-24(34)32(16-26(31,3)4)21-10-6-5-9-19(21)27/h5-12,17-18,20,22,33H,13-16,28H2,1-4H3,(H,29,30,35)/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	3.40	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 after 1 hr by RIA				Bioorg Med Chem 21: 3175-96 (2013) Article DOI: 10.1016/j.bmc.2013.03.022 BindingDB Entry DOI: 10.7270/Q2GT5PJK
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50434445 (CHEMBL2387547) Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccccn1 |r| Show InChI InChI=1S/C26H36ClN5O3/c1-17(2)18(25(35)30-23-11-7-8-12-29-23)13-22(33)20(28)14-31-15-24(34)32(16-26(31,3)4)21-10-6-5-9-19(21)27/h5-12,17-18,20,22,33H,13-16,28H2,1-4H3,(H,29,30,35)/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...				Bioorg Med Chem 21: 3175-96 (2013) Article DOI: 10.1016/j.bmc.2013.03.022 BindingDB Entry DOI: 10.7270/Q2GT5PJK
					More data for this Ligand-Target Pair