BDBM50265672 CHEMBL4063083

SMILES: CCS(=O)(=O)c1ccc2Oc3ccccc3CCOc3cc(=O)n(C)cc3-c2c1

InChI Key: InChIKey=PSZPPDUGQXQAJP-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50265672   

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))	BDBM50265672 (CHEMBL4063083) Show SMILES CCS(=O)(=O)c1ccc2Oc3ccccc3CCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C22H21NO5S/c1-3-29(25,26)16-8-9-20-17(12-16)18-14-23(2)22(24)13-21(18)27-11-10-15-6-4-5-7-19(15)28-20/h4-9,12-14H,3,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50265672 (CHEMBL4063083) Show SMILES CCS(=O)(=O)c1ccc2Oc3ccccc3CCOc3cc(=O)n(C)cc3-c2c1 Show InChI InChI=1S/C22H21NO5S/c1-3-29(25,26)16-8-9-20-17(12-16)18-14-23(2)22(24)13-21(18)27-11-10-15-6-4-5-7-19(15)28-20/h4-9,12-14H,3,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	630	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay				J Med Chem 60: 3828-3850 (2017) Article DOI: 10.1021/acs.jmedchem.7b00017 BindingDB Entry DOI: 10.7270/Q2BR8VPN
					More data for this Ligand-Target Pair