BDBM6865 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3a::4-[(5-Amino-1-benzoyl-1H-1,2,4-triazol-3-yl)amino]-benzenesulfonamide::4-[(5-amino-1-benzoyl-1H-1,2,4-triazol-3-yl)amino]benzene-1-sulfonamide

SMILES: Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1ccccc1

InChI Key: InChIKey=PTFAHECOMVRYLS-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 = 6865   

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))	BDBM6865 (1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3a ...) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1ccccc1 Show InChI InChI=1S/C15H14N6O3S/c16-14-19-15(18-11-6-8-12(9-7-11)25(17,23)24)20-21(14)13(22)10-4-2-1-3-5-10/h1-9H,(H2,17,23,24)(H3,16,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	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