Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50203535'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203535 ((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1 Show InChI InChI=1S/C20H26N4O3/c25-18(22-27)15-10-20(5-6-20)12-21-17(15)19(26)23-7-8-24-14(11-23)9-13-3-1-2-4-16(13)24/h1-4,14-15,17,21,27H,5-12H2,(H,22,25)/t14?,15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
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