Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50285570'   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50285570 ((R)-2-((S)-4-(3-methoxyphenyl)-1-((S)-4-methyl-1-o...) Show SMILES COc1cccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C26H35N3O5/c1-17(2)15-23(25(31)28-20-10-6-5-7-11-20)29-24(30)22(27-18(3)26(32)33)14-13-19-9-8-12-21(16-19)34-4/h5-12,16-18,22-23,27H,13-15H2,1-4H3,(H,28,31)(H,29,30)(H,32,33)/t18-,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human collagenase (MMP-1)				Bioorg Med Chem Lett 5: 2441-2446 (1995) Article DOI: 10.1016/0960-894X(95)00425-S BindingDB Entry DOI: 10.7270/Q2D21XK6
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