Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM379975'   

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))	BDBM379975 (US9926281, Compound 436) Show SMILES COCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H24Cl2N4O4/c1-19(17(27)22-18(28)23-19)10-12(11-29-2)16(26)25-5-3-24(4-6-25)15-8-13(20)7-14(21)9-15/h7-9,12H,3-6,10-11H2,1-2H3,(H2,22,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP2 (AA34 to 660) assessed as cleavage of fluorescent substrate using 390 MMP FRET as substrate incubated for 30 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02008 BindingDB Entry DOI: 10.7270/Q21R6VBM
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72 kDa type IV collagenase (Homo sapiens (Human))	BDBM379975 (US9926281, Compound 436) Show SMILES COCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H24Cl2N4O4/c1-19(17(27)22-18(28)23-19)10-12(11-29-2)16(26)25-5-3-24(4-6-25)15-8-13(20)7-14(21)9-15/h7-9,12H,3-6,10-11H2,1-2H3,(H2,22,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description MMP2: Protocol 2: The basis for the assay is the cleavage of the substrate 390 MMP FRET substrate I (Anaspec, Catalog n#: AS-27076) by human MMP2 (R&...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q27S7R3T
					More data for this Ligand-Target Pair