Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50002371   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB MMDB 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	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50323212 (6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydro...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(14.56,-27.41,;13.23,-26.63,;11.89,-27.39,;10.56,-26.61,;10.57,-25.07,;11.9,-24.31,;13.23,-25.08,;9.25,-24.3,;7.91,-25.06,;6.59,-24.28,;5.25,-25.04,;6.6,-22.75,;5.27,-21.99,;3.93,-22.76,;5.28,-20.46,;6.6,-19.69,;6.6,-18.15,;7.93,-20.45,;7.93,-21.99,;9.26,-22.76,;3.95,-19.69,;2.61,-20.46,;1.28,-19.68,;1.28,-18.14,;2.61,-17.37,;3.95,-18.15,;5.29,-17.38,;-.06,-20.44,;-.06,-22,;-1.41,-22.77,;-1.41,-24.31,;-2.75,-21.99,;-2.75,-20.44,;-4.08,-19.67,;-5.41,-20.45,;-6.75,-19.67,;-5.42,-21.99,;-4.08,-22.76,;-4.08,-24.3,;-1.41,-19.66,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-33,35-36,38H	PDB MMDB 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	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50323196 (4'-methylamentoflavone | CHEMBL378188 | bilobetin) Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.27,-31.58,;3.27,-33.11,;1.94,-33.89,;.61,-33.11,;-.73,-33.89,;-.73,-35.42,;.61,-36.2,;1.94,-35.42,;3.27,-36.2,;4.6,-35.42,;4.6,-33.89,;5.93,-36.2,;5.93,-37.73,;7.27,-38.51,;4.6,-38.51,;3.27,-37.73,;1.94,-38.51,;1.94,-40.04,;3.27,-40.81,;4.6,-40.04,;5.93,-40.81,;.61,-40.81,;.61,-42.35,;-.73,-43.12,;-2.06,-42.35,;-3.39,-43.12,;-2.06,-40.81,;-.73,-40.04,;-2.06,-36.2,;-2.06,-37.73,;-3.39,-38.51,;-3.39,-40.04,;-4.73,-37.73,;-4.73,-36.2,;-6.06,-35.42,;-7.39,-36.2,;-8.72,-35.42,;-7.39,-37.73,;-6.06,-38.51,;-6.06,-40.04,;-3.39,-35.42,)| Show InChI InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3	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	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50323212 (6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydro...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(14.56,-27.41,;13.23,-26.63,;11.89,-27.39,;10.56,-26.61,;10.57,-25.07,;11.9,-24.31,;13.23,-25.08,;9.25,-24.3,;7.91,-25.06,;6.59,-24.28,;5.25,-25.04,;6.6,-22.75,;5.27,-21.99,;3.93,-22.76,;5.28,-20.46,;6.6,-19.69,;6.6,-18.15,;7.93,-20.45,;7.93,-21.99,;9.26,-22.76,;3.95,-19.69,;2.61,-20.46,;1.28,-19.68,;1.28,-18.14,;2.61,-17.37,;3.95,-18.15,;5.29,-17.38,;-.06,-20.44,;-.06,-22,;-1.41,-22.77,;-1.41,-24.31,;-2.75,-21.99,;-2.75,-20.44,;-4.08,-19.67,;-5.41,-20.45,;-6.75,-19.67,;-5.42,-21.99,;-4.08,-22.76,;-4.08,-24.3,;-1.41,-19.66,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-33,35-36,38H	PDB MMDB 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	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50457771 (CHEMBL4206592) Show SMILES OCc1ccc(c2c1C(=O)OC2(c1ccc(O)cc1)c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C27H20O6/c28-15-17-3-14-23(16-1-8-20(29)9-2-16)25-24(17)26(32)33-27(25,18-4-10-21(30)11-5-18)19-6-12-22(31)13-7-19/h1-14,28-31H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50457774 (CHEMBL4206956) Show SMILES Oc1ccc(cc1)C(=O)\C=C(/c1ccccc1)c1c(cccc1-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C33H24O4/c34-26-15-9-23(10-16-26)29-7-4-8-30(24-11-17-27(35)18-12-24)33(29)31(22-5-2-1-3-6-22)21-32(37)25-13-19-28(36)20-14-25/h1-21,34-36H/b31-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50457777 (CHEMBL4216342) Show SMILES COc1ccc(cc1-c1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1)C1CC(=O)c2c(O)cc(O)cc2O1 |(14.03,-42.29,;14.02,-40.75,;12.69,-39.98,;11.35,-40.75,;10.01,-39.98,;10.02,-38.43,;11.35,-37.66,;12.68,-38.43,;14.01,-37.65,;14,-36.12,;12.66,-35.36,;15.33,-35.34,;16.67,-36.1,;18,-35.33,;19.34,-36.1,;19.34,-37.64,;18,-38.41,;18,-39.95,;16.67,-37.65,;15.35,-38.42,;15.35,-39.96,;20.67,-35.33,;22,-36.1,;23.34,-35.33,;23.34,-33.79,;24.67,-33.02,;22,-33.02,;20.67,-33.79,;8.68,-37.66,;8.69,-36.12,;7.36,-35.35,;7.36,-33.81,;6.03,-36.12,;4.7,-35.34,;4.71,-33.8,;3.36,-36.11,;3.36,-37.65,;2.03,-38.42,;4.69,-38.42,;6.02,-37.66,;7.35,-38.44,)| Show InChI InChI=1S/C31H24O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-10,13,24-25,32-35,38H,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50457775 (CHEMBL451902 | Robustaflavone-4''-Methyl Ether) Show SMILES COc1ccc(cc1-c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 |(4.11,6.46,;4.1,4.92,;2.77,4.15,;1.43,4.92,;.1,4.16,;.1,2.62,;1.43,1.85,;2.77,2.61,;4.09,1.84,;4.09,.3,;2.75,-.46,;5.42,-.47,;6.75,.29,;8.08,-.49,;9.43,.28,;9.44,1.83,;8.09,2.62,;8.1,4.16,;6.75,1.84,;5.42,2.61,;5.44,4.15,;10.76,-.5,;10.74,-2.04,;12.07,-2.81,;13.41,-2.05,;14.74,-2.83,;13.41,-.5,;12.09,.26,;-1.23,1.86,;-1.23,.31,;-2.58,-.46,;-2.59,-2,;-3.92,.31,;-5.25,-.46,;-5.25,-2,;-6.58,.31,;-6.58,1.86,;-7.91,2.63,;-5.25,2.63,;-3.92,1.86,;-2.58,2.64,)| Show InChI InChI=1S/C31H20O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-13,32-35,38H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50457776 (CHEMBL4208646) Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)C1CC(=O)c2c(O)cc(O)cc2O1 |(41.47,-11.31,;40.14,-12.08,;38.8,-11.32,;38.8,-9.76,;37.46,-9,;36.13,-9.77,;36.13,-11.32,;37.46,-12.09,;37.46,-13.63,;36.14,-14.41,;34.8,-13.65,;36.15,-15.94,;37.48,-16.71,;37.49,-18.25,;38.81,-15.94,;38.81,-14.39,;40.14,-13.62,;41.48,-14.39,;41.48,-15.94,;40.14,-16.7,;40.14,-18.24,;42.81,-13.62,;44.14,-14.39,;45.48,-13.63,;45.48,-12.08,;46.81,-11.31,;44.13,-11.31,;42.8,-12.09,;34.8,-9,;34.8,-7.46,;33.47,-6.69,;33.47,-5.15,;32.14,-7.46,;30.81,-6.68,;30.82,-5.14,;29.48,-7.44,;29.47,-8.99,;28.14,-9.76,;30.8,-9.76,;32.13,-8.99,;33.46,-9.77,)| Show InChI InChI=1S/C31H22O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-11,13,26,32-36H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB MMDB 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	3.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50457777 (CHEMBL4216342) Show SMILES COc1ccc(cc1-c1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1)C1CC(=O)c2c(O)cc(O)cc2O1 |(14.03,-42.29,;14.02,-40.75,;12.69,-39.98,;11.35,-40.75,;10.01,-39.98,;10.02,-38.43,;11.35,-37.66,;12.68,-38.43,;14.01,-37.65,;14,-36.12,;12.66,-35.36,;15.33,-35.34,;16.67,-36.1,;18,-35.33,;19.34,-36.1,;19.34,-37.64,;18,-38.41,;18,-39.95,;16.67,-37.65,;15.35,-38.42,;15.35,-39.96,;20.67,-35.33,;22,-36.1,;23.34,-35.33,;23.34,-33.79,;24.67,-33.02,;22,-33.02,;20.67,-33.79,;8.68,-37.66,;8.69,-36.12,;7.36,-35.35,;7.36,-33.81,;6.03,-36.12,;4.7,-35.34,;4.71,-33.8,;3.36,-36.11,;3.36,-37.65,;2.03,-38.42,;4.69,-38.42,;6.02,-37.66,;7.35,-38.44,)| Show InChI InChI=1S/C31H24O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-10,13,24-25,32-35,38H,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50457772 (CHEMBL4211480) Show SMILES Oc1ccc(cc1)C(=O)c1c2C(=O)OCc2ccc1-c1ccc(O)cc1 Show InChI InChI=1S/C21H14O5/c22-15-6-1-12(2-7-15)17-10-5-14-11-26-21(25)18(14)19(17)20(24)13-3-8-16(23)9-4-13/h1-10,22-23H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50457775 (CHEMBL451902 | Robustaflavone-4''-Methyl Ether) Show SMILES COc1ccc(cc1-c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 |(4.11,6.46,;4.1,4.92,;2.77,4.15,;1.43,4.92,;.1,4.16,;.1,2.62,;1.43,1.85,;2.77,2.61,;4.09,1.84,;4.09,.3,;2.75,-.46,;5.42,-.47,;6.75,.29,;8.08,-.49,;9.43,.28,;9.44,1.83,;8.09,2.62,;8.1,4.16,;6.75,1.84,;5.42,2.61,;5.44,4.15,;10.76,-.5,;10.74,-2.04,;12.07,-2.81,;13.41,-2.05,;14.74,-2.83,;13.41,-.5,;12.09,.26,;-1.23,1.86,;-1.23,.31,;-2.58,-.46,;-2.59,-2,;-3.92,.31,;-5.25,-.46,;-5.25,-2,;-6.58,.31,;-6.58,1.86,;-7.91,2.63,;-5.25,2.63,;-3.92,1.86,;-2.58,2.64,)| Show InChI InChI=1S/C31H20O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-13,32-35,38H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50457778 (CHEMBL4213048) Show SMILES COc1ccc(cc1-c1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 |(38.61,-43.64,;38.6,-42.1,;37.27,-41.33,;35.93,-42.1,;34.59,-41.33,;34.6,-39.78,;35.93,-39.01,;37.26,-39.78,;38.59,-39,;38.58,-37.47,;37.24,-36.71,;39.91,-36.69,;41.25,-37.45,;42.58,-36.68,;43.92,-37.45,;43.92,-39,;42.58,-39.76,;42.58,-41.3,;41.25,-39,;39.93,-39.77,;39.93,-41.31,;45.25,-36.68,;46.58,-37.45,;47.92,-36.69,;47.92,-35.14,;49.25,-34.37,;46.58,-34.37,;45.25,-35.14,;33.26,-39.01,;33.27,-37.47,;31.94,-36.7,;31.94,-35.16,;30.6,-37.47,;29.28,-36.69,;29.29,-35.15,;27.94,-37.46,;27.94,-39,;26.6,-39.77,;29.27,-39.77,;30.59,-39.01,;31.93,-39.79,)| Show InChI InChI=1S/C31H22O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-11,13,24,32-35,38H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50457772 (CHEMBL4211480) Show SMILES Oc1ccc(cc1)C(=O)c1c2C(=O)OCc2ccc1-c1ccc(O)cc1 Show InChI InChI=1S/C21H14O5/c22-15-6-1-12(2-7-15)17-10-5-14-11-26-21(25)18(14)19(17)20(24)13-3-8-16(23)9-4-13/h1-10,22-23H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB 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	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50457776 (CHEMBL4208646) Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)C1CC(=O)c2c(O)cc(O)cc2O1 |(41.47,-11.31,;40.14,-12.08,;38.8,-11.32,;38.8,-9.76,;37.46,-9,;36.13,-9.77,;36.13,-11.32,;37.46,-12.09,;37.46,-13.63,;36.14,-14.41,;34.8,-13.65,;36.15,-15.94,;37.48,-16.71,;37.49,-18.25,;38.81,-15.94,;38.81,-14.39,;40.14,-13.62,;41.48,-14.39,;41.48,-15.94,;40.14,-16.7,;40.14,-18.24,;42.81,-13.62,;44.14,-14.39,;45.48,-13.63,;45.48,-12.08,;46.81,-11.31,;44.13,-11.31,;42.8,-12.09,;34.8,-9,;34.8,-7.46,;33.47,-6.69,;33.47,-5.15,;32.14,-7.46,;30.81,-6.68,;30.82,-5.14,;29.48,-7.44,;29.47,-8.99,;28.14,-9.76,;30.8,-9.76,;32.13,-8.99,;33.46,-9.77,)| Show InChI InChI=1S/C31H22O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-11,13,26,32-36H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50457771 (CHEMBL4206592) Show SMILES OCc1ccc(c2c1C(=O)OC2(c1ccc(O)cc1)c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C27H20O6/c28-15-17-3-14-23(16-1-8-20(29)9-2-16)25-24(17)26(32)33-27(25,18-4-10-21(30)11-5-18)19-6-12-22(31)13-7-19/h1-14,28-31H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50457773 (CHEMBL4208066) Show SMILES Oc1ccc(cc1)C(=O)c1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H22O5/c32-24-9-1-19(2-10-24)28-17-23(31(36)22-7-15-27(35)16-8-22)18-29(20-3-11-25(33)12-4-20)30(28)21-5-13-26(34)14-6-21/h1-18,32-35H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50457773 (CHEMBL4208066) Show SMILES Oc1ccc(cc1)C(=O)c1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H22O5/c32-24-9-1-19(2-10-24)28-17-23(31(36)22-7-15-27(35)16-8-22)18-29(20-3-11-25(33)12-4-20)30(28)21-5-13-26(34)14-6-21/h1-18,32-35H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50457776 (CHEMBL4208646) Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)C1CC(=O)c2c(O)cc(O)cc2O1 |(41.47,-11.31,;40.14,-12.08,;38.8,-11.32,;38.8,-9.76,;37.46,-9,;36.13,-9.77,;36.13,-11.32,;37.46,-12.09,;37.46,-13.63,;36.14,-14.41,;34.8,-13.65,;36.15,-15.94,;37.48,-16.71,;37.49,-18.25,;38.81,-15.94,;38.81,-14.39,;40.14,-13.62,;41.48,-14.39,;41.48,-15.94,;40.14,-16.7,;40.14,-18.24,;42.81,-13.62,;44.14,-14.39,;45.48,-13.63,;45.48,-12.08,;46.81,-11.31,;44.13,-11.31,;42.8,-12.09,;34.8,-9,;34.8,-7.46,;33.47,-6.69,;33.47,-5.15,;32.14,-7.46,;30.81,-6.68,;30.82,-5.14,;29.48,-7.44,;29.47,-8.99,;28.14,-9.76,;30.8,-9.76,;32.13,-8.99,;33.46,-9.77,)| Show InChI InChI=1S/C31H22O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-11,13,26,32-36H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50457772 (CHEMBL4211480) Show SMILES Oc1ccc(cc1)C(=O)c1c2C(=O)OCc2ccc1-c1ccc(O)cc1 Show InChI InChI=1S/C21H14O5/c22-15-6-1-12(2-7-15)17-10-5-14-11-26-21(25)18(14)19(17)20(24)13-3-8-16(23)9-4-13/h1-10,22-23H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB 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	8.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50093523 (CHEMBL3585679 | PTP1B spring 6 (6)) Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)	PDB MMDB 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	8.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50457771 (CHEMBL4206592) Show SMILES OCc1ccc(c2c1C(=O)OC2(c1ccc(O)cc1)c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C27H20O6/c28-15-17-3-14-23(16-1-8-20(29)9-2-16)25-24(17)26(32)33-27(25,18-4-10-21(30)11-5-18)19-6-12-22(31)13-7-19/h1-14,28-31H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50457775 (CHEMBL451902 | Robustaflavone-4''-Methyl Ether) Show SMILES COc1ccc(cc1-c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 |(4.11,6.46,;4.1,4.92,;2.77,4.15,;1.43,4.92,;.1,4.16,;.1,2.62,;1.43,1.85,;2.77,2.61,;4.09,1.84,;4.09,.3,;2.75,-.46,;5.42,-.47,;6.75,.29,;8.08,-.49,;9.43,.28,;9.44,1.83,;8.09,2.62,;8.1,4.16,;6.75,1.84,;5.42,2.61,;5.44,4.15,;10.76,-.5,;10.74,-2.04,;12.07,-2.81,;13.41,-2.05,;14.74,-2.83,;13.41,-.5,;12.09,.26,;-1.23,1.86,;-1.23,.31,;-2.58,-.46,;-2.59,-2,;-3.92,.31,;-5.25,-.46,;-5.25,-2,;-6.58,.31,;-6.58,1.86,;-7.91,2.63,;-5.25,2.63,;-3.92,1.86,;-2.58,2.64,)| Show InChI InChI=1S/C31H20O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-13,32-35,38H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50457774 (CHEMBL4206956) Show SMILES Oc1ccc(cc1)C(=O)\C=C(/c1ccccc1)c1c(cccc1-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C33H24O4/c34-26-15-9-23(10-16-26)29-7-4-8-30(24-11-17-27(35)18-12-24)33(29)31(22-5-2-1-3-6-22)21-32(37)25-13-19-28(36)20-14-25/h1-21,34-36H/b31-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50457773 (CHEMBL4208066) Show SMILES Oc1ccc(cc1)C(=O)c1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H22O5/c32-24-9-1-19(2-10-24)28-17-23(31(36)22-7-15-27(35)16-8-22)18-29(20-3-11-25(33)12-4-20)30(28)21-5-13-26(34)14-6-21/h1-18,32-35H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB MMDB 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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50457774 (CHEMBL4206956) Show SMILES Oc1ccc(cc1)C(=O)\C=C(/c1ccccc1)c1c(cccc1-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C33H24O4/c34-26-15-9-23(10-16-26)29-7-4-8-30(24-11-17-27(35)18-12-24)33(29)31(22-5-2-1-3-6-22)21-32(37)25-13-19-28(36)20-14-25/h1-21,34-36H/b31-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50457778 (CHEMBL4213048) Show SMILES COc1ccc(cc1-c1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 |(38.61,-43.64,;38.6,-42.1,;37.27,-41.33,;35.93,-42.1,;34.59,-41.33,;34.6,-39.78,;35.93,-39.01,;37.26,-39.78,;38.59,-39,;38.58,-37.47,;37.24,-36.71,;39.91,-36.69,;41.25,-37.45,;42.58,-36.68,;43.92,-37.45,;43.92,-39,;42.58,-39.76,;42.58,-41.3,;41.25,-39,;39.93,-39.77,;39.93,-41.31,;45.25,-36.68,;46.58,-37.45,;47.92,-36.69,;47.92,-35.14,;49.25,-34.37,;46.58,-34.37,;45.25,-35.14,;33.26,-39.01,;33.27,-37.47,;31.94,-36.7,;31.94,-35.16,;30.6,-37.47,;29.28,-36.69,;29.29,-35.15,;27.94,-37.46,;27.94,-39,;26.6,-39.77,;29.27,-39.77,;30.59,-39.01,;31.93,-39.79,)| Show InChI InChI=1S/C31H22O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-11,13,24,32-35,38H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50323196 (4'-methylamentoflavone | CHEMBL378188 | bilobetin) Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.27,-31.58,;3.27,-33.11,;1.94,-33.89,;.61,-33.11,;-.73,-33.89,;-.73,-35.42,;.61,-36.2,;1.94,-35.42,;3.27,-36.2,;4.6,-35.42,;4.6,-33.89,;5.93,-36.2,;5.93,-37.73,;7.27,-38.51,;4.6,-38.51,;3.27,-37.73,;1.94,-38.51,;1.94,-40.04,;3.27,-40.81,;4.6,-40.04,;5.93,-40.81,;.61,-40.81,;.61,-42.35,;-.73,-43.12,;-2.06,-42.35,;-3.39,-43.12,;-2.06,-40.81,;-.73,-40.04,;-2.06,-36.2,;-2.06,-37.73,;-3.39,-38.51,;-3.39,-40.04,;-4.73,-37.73,;-4.73,-36.2,;-6.06,-35.42,;-7.39,-36.2,;-8.72,-35.42,;-7.39,-37.73,;-6.06,-38.51,;-6.06,-40.04,;-3.39,-35.42,)| Show InChI InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50323196 (4'-methylamentoflavone | CHEMBL378188 | bilobetin) Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.27,-31.58,;3.27,-33.11,;1.94,-33.89,;.61,-33.11,;-.73,-33.89,;-.73,-35.42,;.61,-36.2,;1.94,-35.42,;3.27,-36.2,;4.6,-35.42,;4.6,-33.89,;5.93,-36.2,;5.93,-37.73,;7.27,-38.51,;4.6,-38.51,;3.27,-37.73,;1.94,-38.51,;1.94,-40.04,;3.27,-40.81,;4.6,-40.04,;5.93,-40.81,;.61,-40.81,;.61,-42.35,;-.73,-43.12,;-2.06,-42.35,;-3.39,-43.12,;-2.06,-40.81,;-.73,-40.04,;-2.06,-36.2,;-2.06,-37.73,;-3.39,-38.51,;-3.39,-40.04,;-4.73,-37.73,;-4.73,-36.2,;-6.06,-35.42,;-7.39,-36.2,;-8.72,-35.42,;-7.39,-37.73,;-6.06,-38.51,;-6.06,-40.04,;-3.39,-35.42,)| Show InChI InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluoresce...				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB MMDB 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	n/a	2.18E+3	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Binding affinity to MMP9 (unknown origin) by SPR assay				Bioorg Med Chem Lett 28: 2413-2417 (2018) Article DOI: 10.1016/j.bmcl.2018.06.024 BindingDB Entry DOI: 10.7270/Q2348P07
					More data for this Ligand-Target Pair