Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM220438'   

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 4 (Homo sapiens (Human))	BDBM220438 (US9296741, 27) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17F2N3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(22)9-17(19)23/h3-11,24-25H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220438 (US9296741, 27) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17F2N3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(22)9-17(19)23/h3-11,24-25H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 60: 8369-8384 (2017) Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8
					More data for this Ligand-Target Pair