BDBM50122938 5-(3,5-Bis-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::CHEMBL333323

SMILES: CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2C[C@@H](CO)NC1=O

InChI Key: InChIKey=LMHMXFYPWBCZJW-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 = 50122938   

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))	BDBM50122938 (5-(3,5-Bis-trifluoromethyl-phenyl)-pentanoic acid ...) Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C28H33F6N3O3/c1-16(2)25-26(40)36-22(15-38)13-18-12-21(8-9-23(18)37(25)3)35-24(39)7-5-4-6-17-10-19(27(29,30)31)14-20(11-17)28(32,33)34/h8-12,14,16,22,25,38H,4-7,13,15H2,1-3H3,(H,35,39)(H,36,40)/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	7.80	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