Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM342612'   

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))	BDBM342612 (N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-is...) Show SMILES CCNC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O Show InChI InChI=1S/C24H24N2O3/c1-3-25-24(28)16-12-13-21(29-17-8-5-4-6-9-17)19(14-16)23-18-10-7-11-20(27)22(18)15(2)26-23/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	77	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))	BDBM342612 (N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-is...) Show SMILES CCNC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O Show InChI InChI=1S/C24H24N2O3/c1-3-25-24(28)16-12-13-21(29-17-8-5-4-6-9-17)19(14-16)23-18-10-7-11-20(27)22(18)15(2)26-23/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	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))	BDBM342612 (N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-is...) Show SMILES CCNC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O Show InChI InChI=1S/C24H24N2O3/c1-3-25-24(28)16-12-13-21(29-17-8-5-4-6-9-17)19(14-16)23-18-10-7-11-20(27)22(18)15(2)26-23/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	511	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))	BDBM342612 (N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-is...) Show SMILES CCNC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O Show InChI InChI=1S/C24H24N2O3/c1-3-25-24(28)16-12-13-21(29-17-8-5-4-6-9-17)19(14-16)23-18-10-7-11-20(27)22(18)15(2)26-23/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+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 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