Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50018668'   

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))	BDBM50018668 (CHEMBL3291011) Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O Show InChI InChI=1S/C13H14ClNO8P2S/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)26(22,23)15-13(24(16,17)18)25(19,20)21/h1-8,13,15H,(H2,16,17,18)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01855 BindingDB Entry DOI: 10.7270/Q2GB281X
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50018668 (CHEMBL3291011) Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O Show InChI InChI=1S/C13H14ClNO8P2S/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)26(22,23)15-13(24(16,17)18)25(19,20)21/h1-8,13,15H,(H2,16,17,18)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP-2 pretreated for 30 mins measured 2 to 4 hrs after Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition by fluo...				Bioorg Med Chem Lett 24: 2617-20 (2014) Article DOI: 10.1016/j.bmcl.2014.04.077 BindingDB Entry DOI: 10.7270/Q2GB25KV
					More data for this Ligand-Target Pair