BDBM50508406 CHEMBL4439785

SMILES: FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)CBr

InChI Key: InChIKey=JMAHETSDZZVQPS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50508406   

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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50508406 (CHEMBL4439785) Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)CBr |t:11| Show InChI InChI=1S/C25H20BrF3N4O3/c26-12-20(34)33-9-7-32(8-10-33)14-5-6-18(25(27,28)29)16(11-14)21-22(24(36)31-23(21)35)17-13-30-19-4-2-1-3-15(17)19/h1-6,11,13,30H,7-10,12H2,(H,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa...				J Med Chem 62: 1054-1066 (2019) Article DOI: 10.1021/acs.jmedchem.8b01823
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50508406 (CHEMBL4439785) Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)CBr |t:11| Show InChI InChI=1S/C25H20BrF3N4O3/c26-12-20(34)33-9-7-32(8-10-33)14-5-6-18(25(27,28)29)16(11-14)21-22(24(36)31-23(21)35)17-13-30-19-4-2-1-3-15(17)19/h1-6,11,13,30H,7-10,12H2,(H,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	709	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 1 mM ATP by HTRF assa...				J Med Chem 62: 1054-1066 (2019) Article DOI: 10.1021/acs.jmedchem.8b01823
					More data for this Ligand-Target Pair