BDBM50434440 CHEMBL2387552

SMILES: CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1

InChI Key: InChIKey=QJJRRUILCDGYSJ-FHZYATBESA-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 = 50434440   

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)	BDBM50434440 (CHEMBL2387552) Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C26H34ClFN4O3/c1-4-17(25(35)30-19-11-9-18(28)10-12-19)13-23(33)21(29)14-31-15-24(34)32(16-26(31,2)3)22-8-6-5-7-20(22)27/h5-12,17,21,23,33H,4,13-16,29H2,1-3H3,(H,30,35)/t17-,21+,23+/m1/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))	BDBM50434440 (CHEMBL2387552) Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C26H34ClFN4O3/c1-4-17(25(35)30-19-11-9-18(28)10-12-19)13-23(33)21(29)14-31-15-24(34)32(16-26(31,2)3)22-8-6-5-7-20(22)27/h5-12,17,21,23,33H,4,13-16,29H2,1-3H3,(H,30,35)/t17-,21+,23+/m1/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	1.60	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