BDBM50514890 CHEMBL4537897

SMILES: C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CC(F)(F)F)CCc23)ccc1Br

InChI Key: InChIKey=UKUONIURRUCQRP-ZDUSSCGKSA-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 = 50514890   

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
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50514890 (CHEMBL4537897) Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CC(F)(F)F)CCc23)ccc1Br |r| Show InChI InChI=1S/C20H24BrF3N6O3S/c1-13-4-7-29(9-13)34(32,33)18-8-14(2-3-15(18)21)25-19(31)11-30-17-5-6-28(12-20(22,23)24)10-16(17)26-27-30/h2-3,8,13H,4-7,9-12H2,1H3,(H,25,31)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647-labeled GSK tracer from FLAG-6His-Tev-fused CECR2 (424 to 543 residue) (unknown origin) measured after 15 mins by TR-...				J Med Chem 63: 5212-5241 (2020) Article DOI: 10.1021/acs.jmedchem.0c00021
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50514890 (CHEMBL4537897) Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CC(F)(F)F)CCc23)ccc1Br |r| Show InChI InChI=1S/C20H24BrF3N6O3S/c1-13-4-7-29(9-13)34(32,33)18-8-14(2-3-15(18)21)25-19(31)11-30-17-5-6-28(12-20(22,23)24)10-16(17)26-27-30/h2-3,8,13H,4-7,9-12H2,1H3,(H,25,31)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) measured after 30 mins by TR-FRE...				J Med Chem 63: 5212-5241 (2020) Article DOI: 10.1021/acs.jmedchem.0c00021
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50514890 (CHEMBL4537897) Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CC(F)(F)F)CCc23)ccc1Br |r| Show InChI InChI=1S/C20H24BrF3N6O3S/c1-13-4-7-29(9-13)34(32,33)18-8-14(2-3-15(18)21)25-19(31)11-30-17-5-6-28(12-20(22,23)24)10-16(17)26-27-30/h2-3,8,13H,4-7,9-12H2,1H3,(H,25,31)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647-labeled ligand from BRD4 BD1 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 mins by TR-FRET assay				J Med Chem 63: 5212-5241 (2020) Article DOI: 10.1021/acs.jmedchem.0c00021
					More data for this Ligand-Target Pair