Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50106657'   

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))	BDBM50106657 (3-(Formyl-hydroxy-amino)-2-isobutyl-4-methyl-penta...) Show SMILES CC(C)C[C@H]([C@H](C(C)C)N(O)C=O)C(=O)N[C@@H]([C@H](C)CCN=C(N)NS(C)(=O)=O)C(=O)Nc1nccs1 |w:21.20| Show InChI InChI=1S/C22H39N7O6S2/c1-13(2)11-16(18(14(3)4)29(33)12-30)19(31)26-17(20(32)27-22-25-9-10-36-22)15(5)7-8-24-21(23)28-37(6,34)35/h9-10,12-18,33H,7-8,11H2,1-6H3,(H,26,31)(H3,23,24,28)(H,25,27,32)/t15-,16-,17+,18+/m1/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	8.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-1				J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5
					More data for this Ligand-Target Pair