Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50391622'   

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))	BDBM50391622 (CHEMBL2147949) Show SMILES CC(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C19H21NO4/c1-14(21)20-18(19(22)23)13-16-7-9-17(10-8-16)24-12-11-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,20,21)(H,22,23)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin Medical University Curated by ChEMBL					Assay Description Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis				Bioorg Med Chem 20: 5738-44 (2012) Article DOI: 10.1016/j.bmc.2012.08.014 BindingDB Entry DOI: 10.7270/Q2988849
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