Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50131519'   

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))	BDBM50131519 (2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(CSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C20H23N3O5S2/c1-3-4-12-28-17-7-9-18(10-8-17)30(26,27)23(2)19(20(24)22-25)15-29-14-16-6-5-11-21-13-16/h5-11,13,19,25H,12,14-15H2,1-2H3,(H,22,24)	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotein 1				Bioorg Med Chem Lett 13: 2799-803 (2003) BindingDB Entry DOI: 10.7270/Q21N80H7
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50131519 (2-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C(CSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C20H23N3O5S2/c1-3-4-12-28-17-7-9-18(10-8-17)30(26,27)23(2)19(20(24)22-25)15-29-14-16-6-5-11-21-13-16/h5-11,13,19,25H,12,14-15H2,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair