BDBM50482226 CHEMBL1164111

SMILES: N#Cc1c(Nc2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1

InChI Key: InChIKey=UYWRAINVLKPXLQ-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 = 50482226   

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
Stromelysin-3 (Mus musculus)	BDBM50482226 (CHEMBL1164111) Show SMILES N#Cc1c(Nc2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1 Show InChI InChI=1S/C25H18N6S/c26-15-19-23(17-9-3-1-4-10-17)30-25(31-24(19)27-18-11-5-2-6-12-18)32-16-22-28-20-13-7-8-14-21(20)29-22/h1-14H,16H2,(H,28,29)(H,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Cytotoxicity against human NB-1 cells after 3 days by MTT assay				Eur J Med Chem 45: 2336-44 (2010) Article DOI: 10.1016/j.ejmech.2010.02.011 BindingDB Entry DOI: 10.7270/Q2Z60RW4
					More data for this Ligand-Target Pair