BDBM50218368 CHEMBL392317::N1-(5-6-(2,4-dichloro-5-fluorophenyl)-7-[(Z)-1-(3-nitrophenyl)methylidene]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl-4-methyl-2-thienyl)-2-chloroacetamide

SMILES: Cc1cc(NC(=O)CCl)sc1-c1nnc2sc([CH-]c3cccc(c3)[N+]([O-])=O)c(n[n+]12)-c1cc(F)c(Cl)cc1Cl

InChI Key: InChIKey=AADNAGOZXXREIF-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 = 50218368   

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 5 activator 1 (Homo sapiens (Human))	BDBM50218368 (CHEMBL392317 | N1-(5-6-(2,4-dichloro-5-fluoropheny...) Show SMILES Cc1cc(NC(=O)CCl)sc1-c1nnc2sc([CH-]c3cccc(c3)[N+]([O-])=O)c(n[n+]12)-c1cc(F)c(Cl)cc1Cl Show InChI InChI=1S/C24H14Cl3FN6O3S2/c1-11-5-20(29-19(35)10-25)39-22(11)23-30-31-24-33(23)32-21(14-8-17(28)16(27)9-15(14)26)18(38-24)7-12-3-2-4-13(6-12)34(36)37/h2-9H,10H2,1H3,(H,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Cdk5/p25				Bioorg Med Chem 15: 6397-406 (2007) Article DOI: 10.1016/j.bmc.2007.06.053 BindingDB Entry DOI: 10.7270/Q2JS9RP0
					More data for this Ligand-Target Pair