BDBM50233901 CHEMBL4069240

SMILES: Clc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1

InChI Key: InChIKey=HGIQOJBAAOIVPC-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 = 50233901   

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))	BDBM50233901 (CHEMBL4069240) Show SMILES Clc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C24H19ClN6O4S/c25-16-5-2-4-15(10-16)18-12-36-23-19(18)21(32)29-20(30-23)22(33)26-11-14-3-1-6-17(9-14)34-7-8-35-24-27-13-28-31-24/h1-6,9-10,12-13H,7-8,11H2,(H,26,33)(H,27,28,31)(H,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.0570	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