BDBM6875 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3k::4-({5-amino-1-[(2,6-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}amino)benzene-1-sulfonamide::4-{[5-amino-1-(2,6-difluorobenzyl)-1H-1,2,4-triazol-3-yl]amino}benzenesulfonamide

SMILES: Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1Cc1c(F)cccc1F

InChI Key: InChIKey=YWEKAQYXDFMHKY-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 6875   

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))	BDBM6875 (1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3k ...) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1Cc1c(F)cccc1F Show InChI InChI=1S/C15H14F2N6O2S/c16-12-2-1-3-13(17)11(12)8-23-14(18)21-15(22-23)20-9-4-6-10(7-5-9)26(19,24)25/h1-7H,8H2,(H2,19,24,25)(H3,18,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.67E+4	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
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM6875 (1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3k ...) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1Cc1c(F)cccc1F Show InChI InChI=1S/C15H14F2N6O2S/c16-12-2-1-3-13(17)11(12)8-23-14(18)21-15(22-23)20-9-4-6-10(7-5-9)26(19,24)25/h1-7H,8H2,(H2,19,24,25)(H3,18,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	30
Johnson & Johnson Pharmaceutical					Assay Description The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...				J Med Chem 48: 4208-11 (2005) Article DOI: 10.1021/jm050267e BindingDB Entry DOI: 10.7270/Q22F7KNX
					More data for this Ligand-Target Pair