Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 9' and Ligand = 'BDBM50098250'   

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))	BDBM50098250 (CHEMBL3590389) Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to BRD9 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
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