Compile Data Set for Download or QSAR

Found 350 hits with Last Name = 'liras' and Initial = 'jl'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50224846 (4-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...) Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)nc2)C(=O)N1 Show InChI InChI=1S/C28H20N6O5/c29-14-17-2-4-18(5-3-17)22-16-38-24(31-22)19-6-9-21(10-7-19)39-23-11-8-20(15-30-23)34-13-1-12-28(34)25(35)32-27(37)33-26(28)36/h2-11,15-16H,1,12-13H2,(H2,32,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224838 (1-{6-[4-(6-fluoro-1H-benzoimidazol-2-yl)-phenoxy]-...) Show SMILES Fc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C25H19FN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(H2,30,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224842 (1-(6-{4-[4-(3-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...) Show SMILES Fc1cccc(c1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-18-4-1-3-17(13-18)21-15-37-23(30-21)16-5-8-20(9-6-16)38-22-10-7-19(14-29-22)33-12-2-11-27(33)24(34)31-26(36)32-25(27)35/h1,3-10,13-15H,2,11-12H2,(H2,31,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224852 (1-{6-[4-(6-chloro-1H-benzoimidazol-2-yl)-phenoxy]-...) Show SMILES Clc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C25H19ClN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(H2,30,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224856 (1-{6-[4-(1H-benzoimidazol-2-yl)-phenoxy]-pyridin-3...) Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc4ccccc4[nH]3)nc2)C(=O)N1 Show InChI InChI=1S/C25H20N6O4/c32-22-25(23(33)30-24(34)29-22)12-3-13-31(25)16-8-11-20(26-14-16)35-17-9-6-15(7-10-17)21-27-18-4-1-2-5-19(18)28-21/h1-2,4-11,14H,3,12-13H2,(H,27,28)(H2,29,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224847 (3-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...) Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)nc2)C(=O)N1 Show InChI InChI=1S/C28H20N6O5/c29-14-17-3-1-4-19(13-17)22-16-38-24(31-22)18-5-8-21(9-6-18)39-23-10-7-20(15-30-23)34-12-2-11-28(34)25(35)32-27(37)33-26(28)36/h1,3-10,13,15-16H,2,11-12H2,(H2,32,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224837 (1-(6-{4-[4-(4-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...) Show SMILES Fc1ccc(cc1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-18-6-2-16(3-7-18)21-15-37-23(30-21)17-4-9-20(10-5-17)38-22-11-8-19(14-29-22)33-13-1-12-27(33)24(34)31-26(36)32-25(27)35/h2-11,14-15H,1,12-13H2,(H2,31,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224857 (1-(6-{4-[4-(2-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...) Show SMILES Fc1ccccc1-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-20-5-2-1-4-19(20)21-15-37-23(30-21)16-6-9-18(10-7-16)38-22-11-8-17(14-29-22)33-13-3-12-27(33)24(34)31-26(36)32-25(27)35/h1-2,4-11,14-15H,3,12-13H2,(H2,31,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194286 (5-(2-ethoxyethyl)-5-(4-(4-(4-(pyridin-3-yl)oxazol-...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccnc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H24N4O7/c1-2-36-15-13-28(25(33)31-27(35)32-26(28)34)39-22-11-9-21(10-12-22)38-20-7-5-18(6-8-20)24-30-23(17-37-24)19-4-3-14-29-16-19/h3-12,14,16-17H,2,13,15H2,1H3,(H2,31,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194306 (5-(2-ethoxyethyl)-5-(4-(4-(4-(3-fluorophenyl)oxazo...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H24FN3O7/c1-2-37-15-14-29(26(34)32-28(36)33-27(29)35)40-23-12-10-22(11-13-23)39-21-8-6-18(7-9-21)25-31-24(17-38-25)19-4-3-5-20(30)16-19/h3-13,16-17H,2,14-15H2,1H3,(H2,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194306 (5-(2-ethoxyethyl)-5-(4-(4-(4-(3-fluorophenyl)oxazo...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H24FN3O7/c1-2-37-15-14-29(26(34)32-28(36)33-27(29)35)40-23-12-10-22(11-13-23)39-21-8-6-18(7-9-21)25-31-24(17-38-25)19-4-3-5-20(30)16-19/h3-13,16-17H,2,14-15H2,1H3,(H2,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151740 ((3S,4R)-3-Hydroxy-4-(4''-methyl-biphenyl-4-sulfony...) Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194278 (4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahydropyri...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)Nc3cccnc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C26H24N4O7/c1-2-35-15-13-26(23(32)29-25(34)30-24(26)33)37-21-11-9-20(10-12-21)36-19-7-5-17(6-8-19)22(31)28-18-4-3-14-27-16-18/h3-12,14,16H,2,13,15H2,1H3,(H,28,31)(H2,29,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224845 (5-(2-ethoxyethyl)-5-(4-(4-(6-fluoro-1H-benzo[d]imi...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc4ccc(F)cc4[nH]3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H23FN4O6/c1-2-36-14-13-27(24(33)31-26(35)32-25(27)34)38-20-10-8-19(9-11-20)37-18-6-3-16(4-7-18)23-29-21-12-5-17(28)15-22(21)30-23/h3-12,15H,2,13-14H2,1H3,(H,29,30)(H2,31,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194292 (5-(2-ethoxyethyl)-5-(4-(4-(4-(pyridin-4-yl)oxazol-...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccncc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H24N4O7/c1-2-36-16-13-28(25(33)31-27(35)32-26(28)34)39-22-9-7-21(8-10-22)38-20-5-3-19(4-6-20)24-30-23(17-37-24)18-11-14-29-15-12-18/h3-12,14-15,17H,2,13,16H2,1H3,(H2,31,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151751 (3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...) Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194301 (4-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H24N4O7/c1-2-38-16-15-30(27(35)33-29(37)34-28(30)36)41-24-13-11-23(12-14-24)40-22-9-7-21(8-10-22)26-32-25(18-39-26)20-5-3-19(17-31)4-6-20/h3-14,18H,2,15-16H2,1H3,(H2,33,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194301 (4-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H24N4O7/c1-2-38-16-15-30(27(35)33-29(37)34-28(30)36)41-24-13-11-23(12-14-24)40-22-9-7-21(8-10-22)26-32-25(18-39-26)20-5-3-19(17-31)4-6-20/h3-14,18H,2,15-16H2,1H3,(H2,33,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194284 (5-(4-(4-(4-(3-fluorophenyl)oxazol-2-yl)phenoxy)phe...) Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H22FN3O7/c1-36-14-13-28(25(33)31-27(35)32-26(28)34)39-22-11-9-21(10-12-22)38-20-7-5-17(6-8-20)24-30-23(16-37-24)18-3-2-4-19(29)15-18/h2-12,15-16H,13-14H2,1H3,(H2,31,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50168742 ((2R,3R)-3-Hydroxy-3-methyl-1-[4-(quinolin-8-ylmeth...) Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1 Show InChI InChI=1S/C23H25N3O6S/c1-23(28)12-4-14-26(21(23)22(27)25-29)33(30,31)19-10-8-18(9-11-19)32-15-17-6-2-5-16-7-3-13-24-20(16)17/h2-3,5-11,13,21,28-29H,4,12,14-15H2,1H3,(H,25,27)/t21-,23+/m0/s1	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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha release in LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224853 (5-(4-(4-(1H-benzo[d]imidazol-2-yl)phenoxy)phenoxy)...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc4ccccc4[nH]3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H24N4O6/c1-2-35-16-15-27(24(32)30-26(34)31-25(27)33)37-20-13-11-19(12-14-20)36-18-9-7-17(8-10-18)23-28-21-5-3-4-6-22(21)29-23/h3-14H,2,15-16H2,1H3,(H,28,29)(H2,30,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50167611 ((2R,5R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...) Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C21H24ClFN2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(23)9-18(13)22/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Groton Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 (MMP-13)				Bioorg Med Chem Lett 15: 2808-11 (2005) Article DOI: 10.1016/j.bmcl.2005.03.105 BindingDB Entry DOI: 10.7270/Q2BC3Z24
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194304 (3-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H24N4O7/c1-2-38-15-14-30(27(35)33-29(37)34-28(30)36)41-24-12-10-23(11-13-24)40-22-8-6-20(7-9-22)26-32-25(18-39-26)21-5-3-4-19(16-21)17-31/h3-13,16,18H,2,14-15H2,1H3,(H2,33,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194304 (3-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H24N4O7/c1-2-38-15-14-30(27(35)33-29(37)34-28(30)36)41-24-12-10-23(11-13-24)40-22-8-6-20(7-9-22)26-32-25(18-39-26)21-5-3-4-19(16-21)17-31/h3-13,16,18H,2,14-15H2,1H3,(H2,33,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163809 (5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-oxazol-5-yl-phe...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3cnco3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C24H23N3O7/c1-2-31-12-11-24(21(28)20(25)22(29)27-23(24)30)34-18-9-7-17(8-10-18)33-16-5-3-15(4-6-16)19-13-26-14-32-19/h3-10,13-14,20H,2,11-12,25H2,1H3,(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194297 (5-(2-ethoxyethyl)-5-(4-(4-(3-(pyridin-4-yl)-1,2,4-...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3ccncc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H23N5O7/c1-2-36-16-13-27(24(33)30-26(35)31-25(27)34)38-21-9-7-20(8-10-21)37-19-5-3-18(4-6-19)23-29-22(32-39-23)17-11-14-28-15-12-17/h3-12,14-15H,2,13,16H2,1H3,(H2,30,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194290 (5-(4-(4-(4-(4-fluorophenyl)oxazol-2-yl)phenoxy)phe...) Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H22FN3O7/c1-36-15-14-28(25(33)31-27(35)32-26(28)34)39-22-12-10-21(11-13-22)38-20-8-4-18(5-9-20)24-30-23(16-37-24)17-2-6-19(29)7-3-17/h2-13,16H,14-15H2,1H3,(H2,31,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224849 (1-[6-(4-bromo-phenoxy)-pyridin-3-yl]-1,7,9-triaza-...) Show SMILES Brc1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C18H15BrN4O4/c19-11-2-5-13(6-3-11)27-14-7-4-12(10-20-14)23-9-1-8-18(23)15(24)21-17(26)22-16(18)25/h2-7,10H,1,8-9H2,(H2,21,22,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224854 (5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]ba...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50163808 (5-Amino-3-(2-ethoxy-ethyl)-3-{4-[4-(1H-pyrazol-4-y...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3cn[nH]c3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C24H24N4O6/c1-2-32-12-11-24(21(29)20(25)22(30)28-23(24)31)34-19-9-7-18(8-10-19)33-17-5-3-15(4-6-17)16-13-26-27-14-16/h3-10,13-14,20H,2,11-12,25H2,1H3,(H,26,27)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194285 (3-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...) Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H22N4O7/c1-37-14-13-29(26(34)32-28(36)33-27(29)35)40-23-11-9-22(10-12-23)39-21-7-5-19(6-8-21)25-31-24(17-38-25)20-4-2-3-18(15-20)16-30/h2-12,15,17H,13-14H2,1H3,(H2,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194289 (5-(2-ethoxy-ethyl)-5-(4-{4-[4-(4-fluoro-phenyl)-ox...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H24FN3O7/c1-2-37-16-15-29(26(34)32-28(36)33-27(29)35)40-23-13-11-22(12-14-23)39-21-9-5-19(6-10-21)25-31-24(17-38-25)18-3-7-20(30)8-4-18/h3-14,17H,2,15-16H2,1H3,(H2,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194289 (5-(2-ethoxy-ethyl)-5-(4-{4-[4-(4-fluoro-phenyl)-ox...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H24FN3O7/c1-2-37-16-15-29(26(34)32-28(36)33-27(29)35)40-23-13-11-22(12-14-23)39-21-9-5-19(6-10-21)25-31-24(17-38-25)18-3-7-20(30)8-4-18/h3-14,17H,2,15-16H2,1H3,(H2,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194293 (2-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...) Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H22N4O7/c1-37-15-14-29(26(34)32-28(36)33-27(29)35)40-22-12-10-21(11-13-22)39-20-8-6-18(7-9-20)25-31-24(17-38-25)23-5-3-2-4-19(23)16-30/h2-13,17H,14-15H2,1H3,(H2,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194311 (4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahydropyri...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)Nc3ccccc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H25N3O7/c1-2-35-17-16-27(24(32)29-26(34)30-25(27)33)37-22-14-12-21(13-15-22)36-20-10-8-18(9-11-20)23(31)28-19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3,(H,28,31)(H2,29,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194277 (5-(2-ethoxyethyl)-5-(4-(4-(5-phenyl-1,2,4-oxadiazo...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3noc(n3)-c3ccccc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H24N4O7/c1-2-36-17-16-28(25(33)30-27(35)31-26(28)34)38-22-14-12-21(13-15-22)37-20-10-8-18(9-11-20)23-29-24(39-32-23)19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3,(H2,30,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194279 (4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...) Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H22N4O7/c1-37-15-14-29(26(34)32-28(36)33-27(29)35)40-23-12-10-22(11-13-23)39-21-8-6-20(7-9-21)25-31-24(17-38-25)19-4-2-18(16-30)3-5-19/h2-13,17H,14-15H2,1H3,(H2,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194294 (CHEMBL221806 | N-(3-fluorobenzyl)-4-(4-(5-(2-ethox...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)NCc3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C28H26FN3O7/c1-2-37-15-14-28(25(34)31-27(36)32-26(28)35)39-23-12-10-22(11-13-23)38-21-8-6-19(7-9-21)24(33)30-17-18-4-3-5-20(29)16-18/h3-13,16H,2,14-15,17H2,1H3,(H,30,33)(H2,31,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163807 (5-Amino-3-[4-(4-bromo-phenoxy)-phenoxy]-3-(2-ethox...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(Br)cc3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C21H21BrN2O6/c1-2-28-12-11-21(18(25)17(23)19(26)24-20(21)27)30-16-9-7-15(8-10-16)29-14-5-3-13(22)4-6-14/h3-10,17H,2,11-12,23H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163812 (5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-fluoro-phenoxy)...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C21H21FN2O6/c1-2-28-12-11-21(18(25)17(23)19(26)24-20(21)27)30-16-9-7-15(8-10-16)29-14-5-3-13(22)4-6-14/h3-10,17H,2,11-12,23H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194299 (2-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3C#N)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C30H24N4O7/c1-2-38-16-15-30(27(35)33-29(37)34-28(30)36)41-23-13-11-22(12-14-23)40-21-9-7-19(8-10-21)26-32-25(18-39-26)24-6-4-3-5-20(24)17-31/h3-14,18H,2,15-16H2,1H3,(H2,33,34,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151734 ((3S,4R)-4-[4-(4-Chloro-benzyloxy)-benzenesulfonyl]...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-13(2-4-14)11-28-15-5-7-16(8-6-15)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194302 (5-(2-ethoxyethyl)-5-(4-(4-(4-(2-fluorophenyl)oxazo...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3F)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H24FN3O7/c1-2-37-16-15-29(26(34)32-28(36)33-27(29)35)40-21-13-11-20(12-14-21)39-19-9-7-18(8-10-19)25-31-24(17-38-25)22-5-3-4-6-23(22)30/h3-14,17H,2,15-16H2,1H3,(H2,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194302 (5-(2-ethoxyethyl)-5-(4-(4-(4-(2-fluorophenyl)oxazo...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3F)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C29H24FN3O7/c1-2-37-16-15-29(26(34)32-28(36)33-27(29)35)40-21-13-11-20(12-14-21)39-19-9-7-18(8-10-19)25-31-24(17-38-25)22-5-3-4-6-23(22)30/h3-14,17H,2,15-16H2,1H3,(H2,32,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151732 (4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163824 (5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-imidazol-1-yl-p...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-n3ccnc3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C24H24N4O6/c1-2-32-14-11-24(21(29)20(25)22(30)27-23(24)31)34-19-9-7-18(8-10-19)33-17-5-3-16(4-6-17)28-13-12-26-15-28/h3-10,12-13,15,20H,2,11,14,25H2,1H3,(H,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50151732 (4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1	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	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease 12				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50224839 (5-(4-(4-(6-chloro-1H-benzo[d]imidazol-2-yl)phenoxy...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc4ccc(Cl)cc4[nH]3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H23ClN4O6/c1-2-36-14-13-27(24(33)31-26(35)32-25(27)34)38-20-10-8-19(9-11-20)37-18-6-3-16(4-7-18)23-29-21-12-5-17(28)15-22(21)30-23/h3-12,15H,2,13-14H2,1H3,(H,29,30)(H2,31,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 6529-34 (2007) Article DOI: 10.1016/j.bmcl.2007.09.085 BindingDB Entry DOI: 10.7270/Q2ZW1KMR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50194282 (5-(2-ethoxyethyl)-5-(4-(4-(3-(pyridin-2-yl)-1,2,4-...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3ccccn3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C27H23N5O7/c1-2-36-16-14-27(24(33)30-26(35)31-25(27)34)38-20-12-10-19(11-13-20)37-18-8-6-17(7-9-18)23-29-22(32-39-23)21-5-3-4-15-28-21/h3-13,15H,2,14,16H2,1H3,(H2,30,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151736 (3-Hydroxy-4-(4-p-tolyloxy-benzenesulfonyl)-tetrahy...) Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Show InChI InChI=1S/C19H21NO7S/c1-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair

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