Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50286565'   

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))	BDBM50286565 ((R)-2-[(S)-10-Amino-1-((S)-3-methyl-1-phenylcarbam...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCCCCCCN)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C26H44N4O4/c1-19(2)18-23(25(32)29-21-14-10-9-11-15-21)30-24(31)22(28-20(3)26(33)34)16-12-7-5-4-6-8-13-17-27/h9-11,14-15,19-20,22-23,28H,4-8,12-13,16-18,27H2,1-3H3,(H,29,32)(H,30,31)(H,33,34)/t20-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human gelatinase A (MMP-2)				Bioorg Med Chem Lett 5: 539-542 (1995) Article DOI: 10.1016/0960-894X(95)00079-9 BindingDB Entry DOI: 10.7270/Q2VT1S2F
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