BDBM50514910 CHEMBL4440610

SMILES: Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(cc1)-c1ccc(o1)C(O)=O

InChI Key: InChIKey=FLHKDQOEFFJRPN-UHFFFAOYSA-N

Data: 1 Kd

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 1 hit for monomerid = 50514910   

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 JAK2 (Homo sapiens (Human))	BDBM50514910 (CHEMBL4440610) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(cc1)-c1ccc(o1)C(O)=O Show InChI InChI=1S/C20H17N7O6S/c21-18-25-19(23-12-5-7-14(8-6-12)34(22,31)32)26-27(18)20(30)24-13-3-1-11(2-4-13)15-9-10-16(33-15)17(28)29/h1-10H,(H,24,30)(H,28,29)(H2,22,31,32)(H3,21,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain (536 to 812 residues) expresse...				J Med Chem 63: 5324-5340 (2020) Article DOI: 10.1021/acs.jmedchem.0c00192
					More data for this Ligand-Target Pair