BDBM50218341 CHEMBL237857::N1-4-phenyl-5-[6-(3-nitrophenyl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-thienyl-2-chloroacetamide

SMILES: [O-][N+](=O)c1cccc(c1)-c1nn2c(nnc2s1)-c1sc(NC(=O)CCl)cc1-c1ccccc1

InChI Key: InChIKey=LBPVERPKZZCMIU-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 = 50218341   

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))	BDBM50218341 (CHEMBL237857 | N1-4-phenyl-5-[6-(3-nitrophenyl)-5,...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1nn2c(nnc2s1)-c1sc(NC(=O)CCl)cc1-c1ccccc1 Show InChI InChI=1S/C21H13ClN6O3S2/c22-11-16(29)23-17-10-15(12-5-2-1-3-6-12)18(32-17)19-24-25-21-27(19)26-20(33-21)13-7-4-8-14(9-13)28(30)31/h1-10H,11H2,(H,23,29)	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	48	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