BDBM50439251 CHEMBL2419045

SMILES: CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)c1ccc(F)cn1

InChI Key: InChIKey=AYJWYXSNEYSBKE-QUURXOELSA-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 = 50439251   

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))	BDBM50439251 (CHEMBL2419045) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)c1ccc(F)cn1 |r| Show InChI InChI=1S/C29H39F2N5O2/c1-18(2)10-25(24-9-8-22(31)14-33-24)34-28(38)20-11-23(15-32-13-20)36-16-27(37)35(17-29(36,4)5)26-12-21(30)7-6-19(26)3/h6-9,12,14,18,20,23,25,32H,10-11,13,15-17H2,1-5H3,(H,34,38)/t20-,23+,25+/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	1.30	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)	BDBM50439251 (CHEMBL2419045) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)c1ccc(F)cn1 |r| Show InChI InChI=1S/C29H39F2N5O2/c1-18(2)10-25(24-9-8-22(31)14-33-24)34-28(38)20-11-23(15-32-13-20)36-16-27(37)35(17-29(36,4)5)26-12-21(30)7-6-19(26)3/h6-9,12,14,18,20,23,25,32H,10-11,13,15-17H2,1-5H3,(H,34,38)/t20-,23+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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