Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM50196990'   

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))	BDBM50196990 (CHEMBL246184 | N2-(2,4-dichlorobenzyl)-N4-((4-(ami...) Show SMILES NCC1CCC(CNc2nc(NCc3ccc(Cl)cc3Cl)ncc2[N+]([O-])=O)CC1 |(38.9,-46.88,;38.9,-45.34,;37.57,-44.56,;36.23,-45.33,;34.9,-44.56,;34.91,-43.03,;33.58,-42.26,;33.57,-40.72,;32.24,-39.95,;30.9,-40.72,;29.57,-39.95,;28.23,-40.72,;26.9,-39.95,;25.56,-40.72,;24.23,-39.94,;22.9,-40.71,;22.9,-42.25,;21.56,-43.02,;24.24,-43.02,;25.57,-42.25,;26.9,-43.02,;29.57,-38.41,;30.9,-37.64,;32.23,-38.4,;33.57,-37.62,;34.9,-38.39,;33.56,-36.08,;36.23,-42.24,;37.57,-43.02,)| Show InChI InChI=1S/C19H24Cl2N6O2/c20-15-6-5-14(16(21)7-15)10-24-19-25-11-17(27(28)29)18(26-19)23-9-13-3-1-12(8-22)2-4-13/h5-7,11-13H,1-4,8-10,22H2,(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PKCtheta by FP assay				Bioorg Med Chem Lett 17: 225-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.056 BindingDB Entry DOI: 10.7270/Q2PC3211
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