BDBM50233903 CHEMBL4084468

SMILES: CC(C)c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1

InChI Key: InChIKey=KHRBMIPZOBMUGG-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 = 50233903   

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))	BDBM50233903 (CHEMBL4084468) Show SMILES CC(C)c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C21H22N6O4S/c1-12(2)15-10-32-20-16(15)18(28)25-17(26-20)19(29)22-9-13-4-3-5-14(8-13)30-6-7-31-21-23-11-24-27-21/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,22,29)(H,23,24,27)(H,25,26,28)	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	0.0910	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