BDBM50265630 CHEMBL4101187

SMILES: CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OCC(C)(C)O

InChI Key: InChIKey=GFXRLPSLUXFFQT-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 = 50265630   

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))	BDBM50265630 (CHEMBL4101187) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OCC(C)(C)O Show InChI InChI=1S/C24H26F2N2O6S/c1-5-35(31,32)27-16-7-9-20(34-21-8-6-15(25)10-19(21)26)17(11-16)18-13-28(4)23(29)12-22(18)33-14-24(2,3)30/h6-13,27,30H,5,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	71	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))	BDBM50265630 (CHEMBL4101187) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OCC(C)(C)O Show InChI InChI=1S/C24H26F2N2O6S/c1-5-35(31,32)27-16-7-9-20(34-21-8-6-15(25)10-19(21)26)17(11-16)18-13-28(4)23(29)12-22(18)33-14-24(2,3)30/h6-13,27,30H,5,14H2,1-4H3	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	1.10E+3	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