BDBM50233897 CHEMBL4064516

SMILES: Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCSc2nc[nH]n2)c1

InChI Key: InChIKey=ZUCMOTKPGCFZAT-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 = 50233897   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50233897 (CHEMBL4064516) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCSc2nc[nH]n2)c1 Show InChI InChI=1S/C19H18N6O3S2/c1-11-9-30-18-14(11)16(26)23-15(24-18)17(27)20-8-12-3-2-4-13(7-12)28-5-6-29-19-21-10-22-25-19/h2-4,7,9-10H,5-6,8H2,1H3,(H,20,27)(H,21,22,25)(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0740	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...				J Med Chem 60: 608-626 (2017) BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair