Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 469.5 BDBM376584

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))	BDBM376584 (US9918990, Example 42) Show SMILES Cn1cc(-c2ccc3ncn(CCN4CCOCC4)c3c2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C27H27N5O3/c1-30-17-22(20-9-10-28-24(20)27(30)33)21-7-8-23-25(26(21)35-19-5-3-2-4-6-19)32(18-29-23)12-11-31-13-15-34-16-14-31/h2-10,17-18,28H,11-16H2,1H3	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))	BDBM376584 (US9918990, Example 42) Show SMILES Cn1cc(-c2ccc3ncn(CCN4CCOCC4)c3c2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C27H27N5O3/c1-30-17-22(20-9-10-28-24(20)27(30)33)21-7-8-23-25(26(21)35-19-5-3-2-4-6-19)32(18-29-23)12-11-31-13-15-34-16-14-31/h2-10,17-18,28H,11-16H2,1H3	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