Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 3' and Ligand = 'BDBM274322'   

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 3 (Homo sapiens (Human))	BDBM274322 (Ethyl 6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4...) Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1C1=CCOCC1)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |t:17| Show InChI InChI=1S/C29H28ClN5O4/c1-5-39-29(37)35-24(20-10-12-38-13-11-20)17(3)23-26(35)25(19-6-8-21(30)9-7-19)34(28(23)36)22-14-16(2)27-32-31-18(4)33(27)15-22/h6-10,14-15,25H,5,11-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
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