Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50070457'   

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))	BDBM50070457 ((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-((S)...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO Show InChI InChI=1S/C19H29N3O4/c1-12(2)10-15(13(3)17(23)22-26)18(24)21-16(19(25)20-4)11-14-8-6-5-7-9-14/h5-9,12-13,15-16,26H,10-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1(MMP-1)				Bioorg Med Chem Lett 8: 1443-8 (1999) BindingDB Entry DOI: 10.7270/Q2DF6QB8
					More data for this Ligand-Target Pair				3D Structure (docked)