Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM25549'   

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))	BDBM25549 (4-[(4-chlorophenyl)amino]-5-(3,4-dimethoxyphenyl)p...) Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(Cl)cc1 Show InChI InChI=1S/C20H16ClN3O2/c1-25-18-8-3-13(9-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-6-4-15(21)5-7-16/h3-9,11-12H,1-2H3,(H,23,24)	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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01031 BindingDB Entry DOI: 10.7270/Q2FF3XF8
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM25549 (4-[(4-chlorophenyl)amino]-5-(3,4-dimethoxyphenyl)p...) Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(Cl)cc1 Show InChI InChI=1S/C20H16ClN3O2/c1-25-18-8-3-13(9-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-6-4-15(21)5-7-16/h3-9,11-12H,1-2H3,(H,23,24)	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	2.80E+3	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