Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50008341   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50119278 (CHEMBL3617407) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50119278 (CHEMBL3617407) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50314225 ((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...) Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50518292 (CHEMBL4442617) Show SMILES ONC(=O)[C@@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C40H40N6O10S2/c47-37(41-24-22-35(39(49)43-51)45-57(53,54)33-18-14-29(15-19-33)27-8-3-1-4-9-27)31-12-7-13-32(26-31)38(48)42-25-23-36(40(50)44-52)46-58(55,56)34-20-16-30(17-21-34)28-10-5-2-6-11-28/h1-21,26,35-36,45-46,51-52H,22-25H2,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t35-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50518292 (CHEMBL4442617) Show SMILES ONC(=O)[C@@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C40H40N6O10S2/c47-37(41-24-22-35(39(49)43-51)45-57(53,54)33-18-14-29(15-19-33)27-8-3-1-4-9-27)31-12-7-13-32(26-31)38(48)42-25-23-36(40(50)44-52)46-58(55,56)34-20-16-30(17-21-34)28-10-5-2-6-11-28/h1-21,26,35-36,45-46,51-52H,22-25H2,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t35-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50518290 (CHEMBL4466038) Show SMILES ONC(=O)[C@@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C48H54N8O12S2/c57-43(49-30-26-41(47(61)53-63)55-69(65,66)39-22-18-35(19-23-39)33-10-3-1-4-11-33)16-8-28-51-45(59)37-14-7-15-38(32-37)46(60)52-29-9-17-44(58)50-31-27-42(48(62)54-64)56-70(67,68)40-24-20-36(21-25-40)34-12-5-2-6-13-34/h1-7,10-15,18-25,32,41-42,55-56,63-64H,8-9,16-17,26-31H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t41-,42-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50518291 (CHEMBL4584813) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C70H72N10O18S2/c1-97-51-26-18-45(19-27-51)47-22-30-53(31-23-47)99(93,94)79(59(65(85)75-91)34-40-77-67(87)55-12-3-4-13-56(55)68(77)88)42-38-71-61(81)16-8-36-73-63(83)49-10-7-11-50(44-49)64(84)74-37-9-17-62(82)72-39-43-80(100(95,96)54-32-24-48(25-33-54)46-20-28-52(98-2)29-21-46)60(66(86)76-92)35-41-78-69(89)57-14-5-6-15-58(57)70(78)90/h3-7,10-15,18-33,44,59-60,91-92H,8-9,16-17,34-43H2,1-2H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,86)/t59-,60-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50119278 (CHEMBL3617407) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50518291 (CHEMBL4584813) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C70H72N10O18S2/c1-97-51-26-18-45(19-27-51)47-22-30-53(31-23-47)99(93,94)79(59(65(85)75-91)34-40-77-67(87)55-12-3-4-13-56(55)68(77)88)42-38-71-61(81)16-8-36-73-63(83)49-10-7-11-50(44-49)64(84)74-37-9-17-62(82)72-39-43-80(100(95,96)54-32-24-48(25-33-54)46-20-28-52(98-2)29-21-46)60(66(86)76-92)35-41-78-69(89)57-14-5-6-15-58(57)70(78)90/h3-7,10-15,18-33,44,59-60,91-92H,8-9,16-17,34-43H2,1-2H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,86)/t59-,60-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50518291 (CHEMBL4584813) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C70H72N10O18S2/c1-97-51-26-18-45(19-27-51)47-22-30-53(31-23-47)99(93,94)79(59(65(85)75-91)34-40-77-67(87)55-12-3-4-13-56(55)68(77)88)42-38-71-61(81)16-8-36-73-63(83)49-10-7-11-50(44-49)64(84)74-37-9-17-62(82)72-39-43-80(100(95,96)54-32-24-48(25-33-54)46-20-28-52(98-2)29-21-46)60(66(86)76-92)35-41-78-69(89)57-14-5-6-15-58(57)70(78)90/h3-7,10-15,18-33,44,59-60,91-92H,8-9,16-17,34-43H2,1-2H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,86)/t59-,60-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50314225 ((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...) Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/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	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50518290 (CHEMBL4466038) Show SMILES ONC(=O)[C@@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C48H54N8O12S2/c57-43(49-30-26-41(47(61)53-63)55-69(65,66)39-22-18-35(19-23-39)33-10-3-1-4-11-33)16-8-28-51-45(59)37-14-7-15-38(32-37)46(60)52-29-9-17-44(58)50-31-27-42(48(62)54-64)56-70(67,68)40-24-20-36(21-25-40)34-12-5-2-6-13-34/h1-7,10-15,18-25,32,41-42,55-56,63-64H,8-9,16-17,26-31H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t41-,42-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50518293 (CHEMBL4518217) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C62H58N8O16S2/c1-85-45-22-14-39(15-23-45)41-18-26-47(27-19-41)87(81,82)69(53(57(73)65-79)30-34-67-59(75)49-10-3-4-11-50(49)60(67)76)36-32-63-55(71)43-8-7-9-44(38-43)56(72)64-33-37-70(88(83,84)48-28-20-42(21-29-48)40-16-24-46(86-2)25-17-40)54(58(74)66-80)31-35-68-61(77)51-12-5-6-13-52(51)62(68)78/h3-29,38,53-54,79-80H,30-37H2,1-2H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t53-,54-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50518293 (CHEMBL4518217) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C62H58N8O16S2/c1-85-45-22-14-39(15-23-45)41-18-26-47(27-19-41)87(81,82)69(53(57(73)65-79)30-34-67-59(75)49-10-3-4-11-50(49)60(67)76)36-32-63-55(71)43-8-7-9-44(38-43)56(72)64-33-37-70(88(83,84)48-28-20-42(21-29-48)40-16-24-46(86-2)25-17-40)54(58(74)66-80)31-35-68-61(77)51-12-5-6-13-52(51)62(68)78/h3-29,38,53-54,79-80H,30-37H2,1-2H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t53-,54-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50518293 (CHEMBL4518217) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C62H58N8O16S2/c1-85-45-22-14-39(15-23-45)41-18-26-47(27-19-41)87(81,82)69(53(57(73)65-79)30-34-67-59(75)49-10-3-4-11-50(49)60(67)76)36-32-63-55(71)43-8-7-9-44(38-43)56(72)64-33-37-70(88(83,84)48-28-20-42(21-29-48)40-16-24-46(86-2)25-17-40)54(58(74)66-80)31-35-68-61(77)51-12-5-6-13-52(51)62(68)78/h3-29,38,53-54,79-80H,30-37H2,1-2H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t53-,54-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					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	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50314225 ((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...) Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50518290 (CHEMBL4466038) Show SMILES ONC(=O)[C@@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C48H54N8O12S2/c57-43(49-30-26-41(47(61)53-63)55-69(65,66)39-22-18-35(19-23-39)33-10-3-1-4-11-33)16-8-28-51-45(59)37-14-7-15-38(32-37)46(60)52-29-9-17-44(58)50-31-27-42(48(62)54-64)56-70(67,68)40-24-20-36(21-25-40)34-12-5-2-6-13-34/h1-7,10-15,18-25,32,41-42,55-56,63-64H,8-9,16-17,26-31H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t41-,42-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50518291 (CHEMBL4584813) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C70H72N10O18S2/c1-97-51-26-18-45(19-27-51)47-22-30-53(31-23-47)99(93,94)79(59(65(85)75-91)34-40-77-67(87)55-12-3-4-13-56(55)68(77)88)42-38-71-61(81)16-8-36-73-63(83)49-10-7-11-50(44-49)64(84)74-37-9-17-62(82)72-39-43-80(100(95,96)54-32-24-48(25-33-54)46-20-28-52(98-2)29-21-46)60(66(86)76-92)35-41-78-69(89)57-14-5-6-15-58(57)70(78)90/h3-7,10-15,18-33,44,59-60,91-92H,8-9,16-17,34-43H2,1-2H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,86)/t59-,60-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human pro-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Interstitial 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	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human pro-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50518292 (CHEMBL4442617) Show SMILES ONC(=O)[C@@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C40H40N6O10S2/c47-37(41-24-22-35(39(49)43-51)45-57(53,54)33-18-14-29(15-19-33)27-8-3-1-4-9-27)31-12-7-13-32(26-31)38(48)42-25-23-36(40(50)44-52)46-58(55,56)34-20-16-30(17-21-34)28-10-5-2-6-11-28/h1-21,26,35-36,45-46,51-52H,22-25H2,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t35-,36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50518293 (CHEMBL4518217) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C62H58N8O16S2/c1-85-45-22-14-39(15-23-45)41-18-26-47(27-19-41)87(81,82)69(53(57(73)65-79)30-34-67-59(75)49-10-3-4-11-50(49)60(67)76)36-32-63-55(71)43-8-7-9-44(38-43)56(72)64-33-37-70(88(83,84)48-28-20-42(21-29-48)40-16-24-46(86-2)25-17-40)54(58(74)66-80)31-35-68-61(77)51-12-5-6-13-52(51)62(68)78/h3-29,38,53-54,79-80H,30-37H2,1-2H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t53-,54-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human pro-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50518290 (CHEMBL4466038) Show SMILES ONC(=O)[C@@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C48H54N8O12S2/c57-43(49-30-26-41(47(61)53-63)55-69(65,66)39-22-18-35(19-23-39)33-10-3-1-4-11-33)16-8-28-51-45(59)37-14-7-15-38(32-37)46(60)52-29-9-17-44(58)50-31-27-42(48(62)54-64)56-70(67,68)40-24-20-36(21-25-40)34-12-5-2-6-13-34/h1-7,10-15,18-25,32,41-42,55-56,63-64H,8-9,16-17,26-31H2,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t41-,42-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human pro-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50119278 (CHEMBL3617407) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human pro-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50314225 ((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...) Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/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	196	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human pro-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50518292 (CHEMBL4442617) Show SMILES ONC(=O)[C@@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C40H40N6O10S2/c47-37(41-24-22-35(39(49)43-51)45-57(53,54)33-18-14-29(15-19-33)27-8-3-1-4-9-27)31-12-7-13-32(26-31)38(48)42-25-23-36(40(50)44-52)46-58(55,56)34-20-16-30(17-21-34)28-10-5-2-6-11-28/h1-21,26,35-36,45-46,51-52H,22-25H2,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t35-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human pro-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
					More data for this Ligand-Target Pair