BDBM50441173 CHEMBL2430895

SMILES: COc1ccc(cc1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12

InChI Key: InChIKey=XLWCHJUWBZQWNQ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50441173   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50441173 (CHEMBL2430895) Show SMILES COc1ccc(cc1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9| Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-8-4-3-5-9-18)27-23(19-12-14-20(33-2)15-13-19)21-10-6-7-11-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay				J Med Chem 56: 7501-15 (2013) Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50441173 (CHEMBL2430895) Show SMILES COc1ccc(cc1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9| Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-8-4-3-5-9-18)27-23(19-12-14-20(33-2)15-13-19)21-10-6-7-11-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay				J Med Chem 56: 7501-15 (2013) Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50441173 (CHEMBL2430895) Show SMILES COc1ccc(cc1)C1=NC(NC(=O)OCc2ccccc2)c2nnc(C)n2-c2ccccc12 |t:9| Show InChI InChI=1S/C26H23N5O3/c1-17-29-30-25-24(28-26(32)34-16-18-8-4-3-5-9-18)27-23(19-12-14-20(33-2)15-13-19)21-10-6-7-11-22(21)31(17)25/h3-15,24H,16H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay				J Med Chem 56: 7501-15 (2013) Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7
					More data for this Ligand-Target Pair