BDBM6876 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3l::4-({5-amino-1-[(2,6-difluorobenzene)sulfonyl]-1H-1,2,4-triazol-3-yl}amino)benzene-1-sulfonamide::4-[5-Amino-1-(2,6-difluoro-benzenesulfonyl)-1H-[1,2,4]triazol-3-ylamino]-benzenesulfonamide

SMILES: Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1S(=O)(=O)c1c(F)cccc1F

InChI Key: InChIKey=NYXCLBKLCFJOCG-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 = 6876   

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))	BDBM6876 (1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3l ...) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1S(=O)(=O)c1c(F)cccc1F Show InChI InChI=1S/C14H12F2N6O4S2/c15-10-2-1-3-11(16)12(10)28(25,26)22-13(17)20-14(21-22)19-8-4-6-9(7-5-8)27(18,23)24/h1-7H,(H2,18,23,24)(H3,17,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	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