Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50104709'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Collagenase 3 (Homo sapiens (Human))	BDBM50104709 ((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...) Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C#N |c:18,t:16| Show InChI InChI=1S/C19H17N5O3S2/c1-13(24-29(26,27)16-5-3-2-4-6-16)18(25)21-19-23-22-17(12-28-19)15-9-7-14(11-20)8-10-15/h2-10,13,24H,12H2,1H3,(H,21,23,25)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bielefeld Curated by ChEMBL					Assay Description In Vitro inhibitory activity against the catalytic domain of the matrix metalloprotease-13				J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758
					More data for this Ligand-Target Pair