Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50127867'   

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))	BDBM50127867 (2-(R)-1-Hydrazinocarbonylmethyl-4-methyl-pentanoic...) Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NN Show InChI InChI=1S/C20H29N5O3/c1-12(2)8-13(10-18(26)25-21)19(27)24-17(20(28)22-3)9-14-11-23-16-7-5-4-6-15(14)16/h4-7,11-13,17,23H,8-10,21H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t13-,17?/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1				Bioorg Med Chem Lett 13: 1783-6 (2003) BindingDB Entry DOI: 10.7270/Q2WH2PCT
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