BDBM6868 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3d::4-({5-amino-1-[(2,3,6-trifluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzene-1-sulfonamide::4-[[5-Amino-1-(2,3,6-trifluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]-benzenesulfonamide

SMILES: Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)ccc(F)c1F

InChI Key: InChIKey=BNYGGUDOWVFAQH-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 = 6868   

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))	BDBM6868 (1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3d ...) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)ccc(F)c1F Show InChI InChI=1S/C15H11F3N6O3S/c16-9-5-6-10(17)12(18)11(9)13(25)24-14(19)22-15(23-24)21-7-1-3-8(4-2-7)28(20,26)27/h1-6H,(H2,20,26,27)(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	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