Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM35135'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM35135 (5-vinyl-3-pyridinecarbonitrile, 17) Show SMILES CN(C)C1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1 Show InChI InChI=1S/C26H32N6/c1-19-23-9-12-29-25(23)8-7-24(19)30-26-20(17-28-18-21(26)16-27)6-4-5-13-32-14-10-22(11-15-32)31(2)3/h4,6-9,12,17-18,22,29H,5,10-11,13-15H2,1-3H3,(H,28,30)/b6-4+	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	4.90	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...				Bioorg Med Chem 17: 7933-48 (2009) Article DOI: 10.1016/j.bmc.2009.10.020 BindingDB Entry DOI: 10.7270/Q2M043RT
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