BDBM50233884 CHEMBL4086342

SMILES: Fc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1

InChI Key: InChIKey=FIZRUYONINBMGK-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 = 50233884   

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))	BDBM50233884 (CHEMBL4086342) Show SMILES Fc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1 Show InChI InChI=1S/C25H21FN6O4S/c26-19-8-2-1-7-17(19)18-13-37-24-20(18)22(33)30-21(31-24)23(34)27-12-15-5-3-6-16(11-15)35-9-4-10-36-25-28-14-29-32-25/h1-3,5-8,11,13-14H,4,9-10,12H2,(H,27,34)(H,28,29,32)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.0620	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