BDBM50239574 CHEMBL4094424

SMILES: CCn1c2NC3=C(C(c4ccc(cc4)C(F)(F)F)c2c(=O)[nH]c1=O)C(=O)OC3

InChI Key: InChIKey=GSQMKFKPHLJZSN-UHFFFAOYSA-N

Data: 2 KI

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 = 50239574   

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))	BDBM50239574 (CHEMBL4094424) Show SMILES CCn1c2NC3=C(C(c4ccc(cc4)C(F)(F)F)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C18H14F3N3O4/c1-2-24-14-13(15(25)23-17(24)27)11(12-10(22-14)7-28-16(12)26)8-3-5-9(6-4-8)18(19,20)21/h3-6,11,22H,2,7H2,1H3,(H,23,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50239574 (CHEMBL4094424) Show SMILES CCn1c2NC3=C(C(c4ccc(cc4)C(F)(F)F)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5| Show InChI InChI=1S/C18H14F3N3O4/c1-2-24-14-13(15(25)23-17(24)27)11(12-10(22-14)7-28-16(12)26)8-3-5-9(6-4-8)18(19,20)21/h3-6,11,22H,2,7H2,1H3,(H,23,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Affinity constant of compound was evaluated in human brain				J Med Chem 60: 4805-4817 (2017) Article DOI: 10.1021/acs.jmedchem.6b01336 BindingDB Entry DOI: 10.7270/Q2PC34JK
					More data for this Ligand-Target Pair