Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50105450'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50105450 (2-(4-Phenoxy-benzenesulfonylmethyl)-1-prop-2-ynyl-...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCN1CC#C Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-6-13-21(23,20(24)22-25)16-29(26,27)19-11-9-18(10-12-19)28-17-7-4-3-5-8-17/h1,3-5,7-12,25H,6,13-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Matrix metalloprotease-2				Bioorg Med Chem Lett 11: 2723-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5NCX
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50105450 (2-(4-Phenoxy-benzenesulfonylmethyl)-1-prop-2-ynyl-...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCN1CC#C Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-6-13-21(23,20(24)22-25)16-29(26,27)19-11-9-18(10-12-19)28-17-7-4-3-5-8-17/h1,3-5,7-12,25H,6,13-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Matrix metalloprotease-2				Bioorg Med Chem Lett 11: 2723-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5NCX
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50105450 (2-(4-Phenoxy-benzenesulfonylmethyl)-1-prop-2-ynyl-...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCN1CC#C Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-6-13-21(23,20(24)22-25)16-29(26,27)19-11-9-18(10-12-19)28-17-7-4-3-5-8-17/h1,3-5,7-12,25H,6,13-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Matrix metalloprotease-2				Bioorg Med Chem Lett 11: 2723-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5NCX
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50105450 (2-(4-Phenoxy-benzenesulfonylmethyl)-1-prop-2-ynyl-...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCN1CC#C Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-6-13-21(23,20(24)22-25)16-29(26,27)19-11-9-18(10-12-19)28-17-7-4-3-5-8-17/h1,3-5,7-12,25H,6,13-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 by colorimetric analysis				Bioorg Med Chem 24: 4291-4309 (2016) Article DOI: 10.1016/j.bmc.2016.07.023 BindingDB Entry DOI: 10.7270/Q2S46TW0
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50105450 (2-(4-Phenoxy-benzenesulfonylmethyl)-1-prop-2-ynyl-...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCN1CC#C Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-6-13-21(23,20(24)22-25)16-29(26,27)19-11-9-18(10-12-19)28-17-7-4-3-5-8-17/h1,3-5,7-12,25H,6,13-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 by colorimetric analysis				Bioorg Med Chem 24: 4291-4309 (2016) Article DOI: 10.1016/j.bmc.2016.07.023 BindingDB Entry DOI: 10.7270/Q2S46TW0
					More data for this Ligand-Target Pair