Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50104723'   

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))	BDBM50104723 (2-Benzenesulfonylamino-N-[5-(4-chloro-phenyl)-6H-[...) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:19,t:17| Show InChI InChI=1S/C19H19ClN4O3S2/c1-19(2,24-29(26,27)15-6-4-3-5-7-15)17(25)21-18-23-22-16(12-28-18)13-8-10-14(20)11-9-13/h3-11,24H,12H2,1-2H3,(H,21,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	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
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