Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50543352'   

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))	BDBM50543352 (CHEMBL4649575) Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C18H17FN2O3/c1-21-18(23)13-8-11(17(20)22)7-12-15(10-5-3-2-4-6-10)14(9-19)24-16(12)13/h2-8,14-15H,9H2,1H3,(H2,20,22)(H,21,23)/t14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...				ACS Med Chem Lett 11: 1581-1587 (2020) Article DOI: 10.1021/acsmedchemlett.0c00247 BindingDB Entry DOI: 10.7270/Q279487V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50543352 (CHEMBL4649575) Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C18H17FN2O3/c1-21-18(23)13-8-11(17(20)22)7-12-15(10-5-3-2-4-6-10)14(9-19)24-16(12)13/h2-8,14-15H,9H2,1H3,(H2,20,22)(H,21,23)/t14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00344 BindingDB Entry DOI: 10.7270/Q2S46WSG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50543352 (CHEMBL4649575) Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C18H17FN2O3/c1-21-18(23)13-8-11(17(20)22)7-12-15(10-5-3-2-4-6-10)14(9-19)24-16(12)13/h2-8,14-15H,9H2,1H3,(H2,20,22)(H,21,23)/t14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00344 BindingDB Entry DOI: 10.7270/Q2S46WSG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50543352 (CHEMBL4649575) Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C18H17FN2O3/c1-21-18(23)13-8-11(17(20)22)7-12-15(10-5-3-2-4-6-10)14(9-19)24-16(12)13/h2-8,14-15H,9H2,1H3,(H2,20,22)(H,21,23)/t14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-F...				ACS Med Chem Lett 11: 1581-1587 (2020) Article DOI: 10.1021/acsmedchemlett.0c00247 BindingDB Entry DOI: 10.7270/Q279487V
					More data for this Ligand-Target Pair