BDBM25555 4-[(2,5-dichlorophenyl)amino]-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile::4-arylamino-3-pyridinecarbonitrile, 4m

SMILES: COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cc(Cl)ccc1Cl

InChI Key: InChIKey=YMHGEQUXPPMXTJ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 25555   

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 theta type (Homo sapiens (Human))	BDBM25555 (4-[(2,5-dichlorophenyl)amino]-5-(3,4-dimethoxyphen...) Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C20H15Cl2N3O2/c1-26-18-6-3-12(7-19(18)27-2)15-11-24-10-13(9-23)20(15)25-17-8-14(21)4-5-16(17)22/h3-8,10-11H,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	7.2	22
Wyeth Research					Assay Description All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...				J Med Chem 51: 5958-63 (2008) Article DOI: 10.1021/jm800214a BindingDB Entry DOI: 10.7270/Q21V5C8K
					More data for this Ligand-Target Pair