BDBM50122941 5-[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-octyl)-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::CHEMBL123244

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

InChI Key: InChIKey=RFLJQQWXIDYCMW-IGKIAQTJSA-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 = 50122941   

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))	BDBM50122941 (5-[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-octy...) Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCc3ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C34H38F13N3O3/c1-19(2)27-28(53)49-24(18-51)17-22-16-23(12-13-25(22)50(27)3)48-26(52)7-5-4-6-20-8-10-21(11-9-20)14-15-29(35,36)30(37,38)31(39,40)32(41,42)33(43,44)34(45,46)47/h8-13,16,19,24,27,51H,4-7,14-15,17-18H2,1-3H3,(H,48,52)(H,49,53)/t24-,27-/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	9.20	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