Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [42-168]' and Ligand = 'BDBM50158612'   

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 [42-168] (Homo sapiens (Human))	BDBM50158612 (CHEMBL3787075 | US9493483, 401) Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1 |r,t:10| Show InChI InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.0	25
Constellation Pharmaceuticals, Inc. US Patent					Assay Description His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...				US Patent US9493483 (2016) BindingDB Entry DOI: 10.7270/Q26D5RXQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [42-168] (Homo sapiens (Human))	BDBM50158612 (CHEMBL3787075 | US9493483, 401) Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1 |r,t:10| Show InChI InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	25
Constellation Pharmaceuticals, Inc. US Patent					Assay Description His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...				US Patent US9493483 (2016) BindingDB Entry DOI: 10.7270/Q26D5RXQ
					More data for this Ligand-Target Pair