Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 334.3 BDBM376551

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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 2 (Homo sapiens (Human))	BDBM376551 (US9918990, Example 12) Show SMILES Cn1cc(-c2ccc3[nH]cnc3c2OCC2CC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-23-8-14(12-6-7-20-16(12)19(23)24)13-4-5-15-17(22-10-21-15)18(13)25-9-11-2-3-11/h4-8,10-11,20H,2-3,9H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				J Med Chem 50: 3906-20 (2007) BindingDB Entry DOI: 10.7270/Q28054XR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM376551 (US9918990, Example 12) Show SMILES Cn1cc(-c2ccc3[nH]cnc3c2OCC2CC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C19H18N4O2/c1-23-8-14(12-6-7-20-16(12)19(23)24)13-4-5-15-17(22-10-21-15)18(13)25-9-11-2-3-11/h4-8,10-11,20H,2-3,9H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				J Med Chem 50: 3906-20 (2007) BindingDB Entry DOI: 10.7270/Q28054XR
					More data for this Ligand-Target Pair