Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50084223'   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50084223 ((R)-1-(4-Butoxy-benzenesulfonyl)-4-[(Z)-isobutoxyi...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C\C(C[C@@H]1C(=O)NO)=N/OCC(C)C Show InChI InChI=1S/C19H29N3O6S/c1-4-5-10-27-16-6-8-17(9-7-16)29(25,26)22-12-15(21-28-13-14(2)3)11-18(22)19(23)20-24/h6-9,14,18,24H,4-5,10-13H2,1-3H3,(H,20,23)/b21-15-/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-1 (Matrix metalloproteinase-1, MMP-1)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
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