BDBM50439260 CHEMBL2419047

SMILES: CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1F

InChI Key: InChIKey=RMTLXCHQKBJUIA-YCRNBWNJSA-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 = 50439260   

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))	BDBM50439260 (CHEMBL2419047) Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1F |r| Show InChI InChI=1S/C27H34ClFN4O2/c1-4-23(20-9-5-7-11-22(20)29)31-26(35)18-13-19(15-30-14-18)33-16-25(34)32(17-27(33,2)3)24-12-8-6-10-21(24)28/h5-12,18-19,23,30H,4,13-17H2,1-3H3,(H,31,35)/t18-,19+,23+/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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...				Bioorg Med Chem 21: 5907-22 (2013) Article DOI: 10.1016/j.bmc.2013.06.057 BindingDB Entry DOI: 10.7270/Q2TH8P4B
					More data for this Ligand-Target Pair
Renin (Macaca fascicularis)	BDBM50439260 (CHEMBL2419047) Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1F |r| Show InChI InChI=1S/C27H34ClFN4O2/c1-4-23(20-9-5-7-11-22(20)29)31-26(35)18-13-19(15-30-14-18)33-16-25(34)32(17-27(33,2)3)24-12-8-6-10-21(24)28/h5-12,18-19,23,30H,4,13-17H2,1-3H3,(H,31,35)/t18-,19+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay				Bioorg Med Chem 21: 5907-22 (2013) Article DOI: 10.1016/j.bmc.2013.06.057 BindingDB Entry DOI: 10.7270/Q2TH8P4B
					More data for this Ligand-Target Pair