BDBM6879 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 4a::4-({3-amino-1-[(2,6-difluoro-3-methylphenyl)carbonyl]-1H-1,2,4-triazol-5-yl}amino)benzene-1-sulfonamide::4-[[3-Amino-1-(2,6-difluoro-3-methylbenzoyl)-1H-1,2,4-triazol-5-yl]amino]-benzenesulfonamide

SMILES: Cc1ccc(F)c(C(=O)n2nc(N)nc2Nc2ccc(cc2)S(N)(=O)=O)c1F

InChI Key: InChIKey=ZPGLUUJFWLJKLN-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 = 6879   

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))	BDBM6879 (1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 4a ...) Show SMILES Cc1ccc(F)c(C(=O)n2nc(N)nc2Nc2ccc(cc2)S(N)(=O)=O)c1F Show InChI InChI=1S/C16H14F2N6O3S/c1-8-2-7-11(17)12(13(8)18)14(25)24-16(22-15(19)23-24)21-9-3-5-10(6-4-9)28(20,26)27/h2-7H,1H3,(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	2.10E+3	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
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