BDBM50122939 5-(4-Trifluoromethyl-phenyl)-pentanoic acid (5-hydroxymethyl-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-8-yl)-amide::CHEMBL123159

SMILES: CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3ccc(cc3)C(F)(F)F)cc2C[C@@H](CO)NC1=O

InChI Key: InChIKey=NQPMWIYNKZJLNB-DHLKQENFSA-N

Data: 1 KI

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 1 hit for monomerid = 50122939   

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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50122939 (5-(4-Trifluoromethyl-phenyl)-pentanoic acid (5-hyd...) Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3ccc(cc3)C(F)(F)F)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C27H34F3N3O3/c1-17(2)25-26(36)32-22(16-34)15-19-14-21(12-13-23(19)33(25)3)31-24(35)7-5-4-6-18-8-10-20(11-9-18)27(28,29)30/h8-14,17,22,25,34H,4-7,15-16H2,1-3H3,(H,31,35)(H,32,36)/t22-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine				J Med Chem 46: 364-73 (2003) Article DOI: 10.1021/jm020350r BindingDB Entry DOI: 10.7270/Q20864P8
					More data for this Ligand-Target Pair