Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50105436'   

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))	BDBM50105436 (CHEMBL316293 | N-[(S)-1-Hydroxycarbamoyl-2-(4-phen...) Show SMILES COc1cccc(OC)c1C(=O)N[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C24H24N2O8S/c1-32-20-9-6-10-21(33-2)22(20)24(28)25-19(23(27)26-29)15-35(30,31)18-13-11-17(12-14-18)34-16-7-4-3-5-8-16/h3-14,19,29H,15H2,1-2H3,(H,25,28)(H,26,27)/t19-/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	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 2719-22 (2001) BindingDB Entry DOI: 10.7270/Q2TD9WNW
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