Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Breakpoint cluster region protein [1-693]' and Ligand = 'BDBM111471'   

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
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111471 (4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C30H32N6O2/c1-22-7-8-23(20-28(22)35-30-32-15-13-27(34-30)24-6-4-14-31-21-24)29(37)33-25-9-11-26(12-10-25)38-19-5-18-36-16-2-3-17-36/h4,6-15,20-21H,2-3,5,16-19H2,1H3,(H,33,37)(H,32,34,35)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
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