BDBM6874 1-(2,6-difluorobenzoyl)-N3-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-1,2,4-triazole-3,5-diamine::1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3j::1-[(2,6-difluorophenyl)carbonyl]-3-N-[4-(piperidine-1-sulfonyl)phenyl]-1H-1,2,4-triazole-3,5-diamine

SMILES: Nc1nc(Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)nn1C(=O)c1c(F)cccc1F

InChI Key: InChIKey=VFSMIYUTPJLQEV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 6874   

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
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM6874 (1-(2,6-difluorobenzoyl)-N3-[4-(piperidin-1-ylsulfo...) Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C20H20F2N6O3S/c21-15-5-4-6-16(22)17(15)18(29)28-19(23)25-20(26-28)24-13-7-9-14(10-8-13)32(30,31)27-11-2-1-3-12-27/h4-10H,1-3,11-12H2,(H3,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	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