Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 9' and Ligand = 'BDBM50172113'   

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
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50172113 (CHEMBL3809636) Show SMILES CCCOc1ccc2n(cc(-c3c(C)n([nH]c3=O)C(=O)c3ccc(OC)cc3)c2c1)C(C)=O |(-5.07,5.07,;-5.06,3.84,;-3.72,3.07,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.72,3.05,;4.66,2.25,;3.83,4.58,;2.4,5.16,;1.41,3.98,;.18,4.06,;5.13,5.4,;6.22,4.82,;5.08,6.94,;6.38,7.76,;6.33,9.3,;4.97,10.02,;4.9,11.56,;3.81,12.13,;3.66,9.2,;3.72,7.66,;.3,.77,;-1.03,1.55,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,)| Show InChI InChI=1S/C25H25N3O5/c1-5-12-33-19-10-11-22-20(13-19)21(14-27(22)16(3)29)23-15(2)28(26-24(23)30)25(31)17-6-8-18(32-4)9-7-17/h6-11,13-14H,5,12H2,1-4H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after 1 hr by BROMOscan assay				J Med Chem 59: 3087-97 (2016) Article DOI: 10.1021/acs.jmedchem.5b01757 BindingDB Entry DOI: 10.7270/Q2MP556R
					More data for this Ligand-Target Pair