Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM285039'   

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))	BDBM285039 (4-[5-ethylsulfonyl-2-(2- hydroxyethoxy)phenyl]-2-m...) Show SMILES CCS(=O)(=O)c1ccc(OCCO)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N3O5S/c1-4-33(30,31)18-6-8-23(32-10-9-28)21(12-18)22-15-26(2)24(29)19-7-5-16(11-20(19)22)17-13-25-27(3)14-17/h5-8,11-15,28H,4,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285039 (4-[5-ethylsulfonyl-2-(2- hydroxyethoxy)phenyl]-2-m...) Show SMILES CCS(=O)(=O)c1ccc(OCCO)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N3O5S/c1-4-33(30,31)18-6-8-23(32-10-9-28)21(12-18)22-15-26(2)24(29)19-7-5-16(11-20(19)22)17-13-25-27(3)14-17/h5-8,11-15,28H,4,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285039 (4-[5-ethylsulfonyl-2-(2- hydroxyethoxy)phenyl]-2-m...) Show SMILES CCS(=O)(=O)c1ccc(OCCO)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N3O5S/c1-4-33(30,31)18-6-8-23(32-10-9-28)21(12-18)22-15-26(2)24(29)19-7-5-16(11-20(19)22)17-13-25-27(3)14-17/h5-8,11-15,28H,4,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	7.3	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...				US Patent US10023592 (2018) BindingDB Entry DOI: 10.7270/Q2668G7H
					More data for this Ligand-Target Pair