Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM342610'   

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))	BDBM342610 (US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...) Show SMILES COC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O Show InChI InChI=1S/C23H21NO4/c1-14-21-17(9-6-10-19(21)25)22(24-14)18-13-15(23(26)27-2)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,24H,6,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA. Curated by ChEMBL					Assay Description Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay				Bioorg Med Chem Lett 27: 2225-2233 (2017) Article DOI: 10.1016/j.bmcl.2017.02.057 BindingDB Entry DOI: 10.7270/Q20P12FJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM342610 (US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...) Show SMILES COC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O Show InChI InChI=1S/C23H21NO4/c1-14-21-17(9-6-10-19(21)25)22(24-14)18-13-15(23(26)27-2)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,24H,6,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	927	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				US Patent US9776990 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM342610 (US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...) Show SMILES COC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O Show InChI InChI=1S/C23H21NO4/c1-14-21-17(9-6-10-19(21)25)22(24-14)18-13-15(23(26)27-2)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,24H,6,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9776990 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM342610 (US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...) Show SMILES COC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O Show InChI InChI=1S/C23H21NO4/c1-14-21-17(9-6-10-19(21)25)22(24-14)18-13-15(23(26)27-2)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,24H,6,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA. Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...				Bioorg Med Chem Lett 27: 2225-2233 (2017) Article DOI: 10.1016/j.bmcl.2017.02.057 BindingDB Entry DOI: 10.7270/Q20P12FJ
					More data for this Ligand-Target Pair