Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [44-168]' and Ligand = 'BDBM245791'   

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 [44-168] (Homo sapiens (Human))	BDBM245791 (US9428513, I-7) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C[C@@H]1CCCO1)N1CCOCC1 |r| Show InChI InChI=1S/C22H27N9O2/c1-14-27-28-22-20(23-2)25-17(13-30(14)22)21-26-16-11-24-19(29-5-8-32-9-6-29)10-18(16)31(21)12-15-4-3-7-33-15/h10-11,13,15H,3-9,12H2,1-2H3,(H,23,25)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (PerkinE...				US Patent US9428513 (2016) BindingDB Entry DOI: 10.7270/Q23777MK
					More data for this Ligand-Target Pair