Compile Data Set for Download or QSAR

Found 537 hits with Last Name = 'calderone' and Initial = 'v'   

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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50265078 ((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
CEA Curated by ChEMBL					Assay Description Inhibition of human MMP12 catalytic domain (98 to 266) at pH 6.8 by isothermal titration calorimetry				J Med Chem 56: 1149-59 (2013) Article DOI: 10.1021/jm301574d BindingDB Entry DOI: 10.7270/Q24F1S24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50265078 ((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry				J Med Chem 56: 1149-59 (2013) Article DOI: 10.1021/jm301574d BindingDB Entry DOI: 10.7270/Q24F1S24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50426080 (CHEMBL2316257) Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C31H31BrClN4O6P/c1-18(29(34)38)35-30(39)19(2)36-31(40)23(17-44(41,42)27-12-10-24(32)11-13-27)15-26-16-28(37-43-26)21-8-6-20(7-9-21)22-4-3-5-25(33)14-22/h3-14,16,18-19,23H,15,17H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,41,42)/t18-,19-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry				J Med Chem 56: 1149-59 (2013) Article DOI: 10.1021/jm301574d BindingDB Entry DOI: 10.7270/Q24F1S24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50332946 (CHEMBL1234724 | N-hydroxy-2-(N-(2-hydroxyethyl)-4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO Show InChI InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP13 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434226 (CHEMBL2385483) Show SMILES COc1ccc(CCS(=O)(=O)N2CCC[C@H]2C(=O)NO)cc1 |r| Show InChI InChI=1S/C14H20N2O5S/c1-21-12-6-4-11(5-7-12)8-10-22(19,20)16-9-2-3-13(16)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50332948 ((R)-2-(N-((S)-2,3-dihydroxypropyl)-4-methoxyphenyl...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@H](O)CO)[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C13H20N2O8S/c1-23-10-2-4-11(5-3-10)24(21,22)15(6-9(18)7-16)12(8-17)13(19)14-20/h2-5,9,12,16-18,20H,6-8H2,1H3,(H,14,19)/t9-,12+/m0/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	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP13 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP13 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434222 (CHEMBL2385487) Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)CCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C19H22N2O4S/c22-19(20-23)18-7-4-13-21(18)26(24,25)14-12-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18,23H,4,7,12-14H2,(H,20,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50294120 (2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide | ...) Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50332949 ((R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamido)pr...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C10H14N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13,15H,6H2,1H3,(H,11,14)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP13 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50332952 (CHEMBL1233772 | N-hydroxy-2-(N-(2-hydroxyethyl)bip...) Show SMILES OCCN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H18N2O5S/c19-11-10-18(12-16(20)17-21)24(22,23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19,21H,10-12H2,(H,17,20)	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	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP13 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50332950 ((2R,3R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamid...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C11H16N2O6S/c1-7(14)10(11(15)12-16)13-20(17,18)9-5-3-8(19-2)4-6-9/h3-7,10,13-14,16H,1-2H3,(H,12,15)/t7-,10-/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	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP13 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM13080 (CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP13 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50332947 ((S)-2-(N-(2,3-dihydroxypropyl)-4-methoxyphenylsulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@H](O)CO)CC(=O)NO |r| Show InChI InChI=1S/C12H18N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16,18H,6-8H2,1H3,(H,13,17)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP13 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM13080 (CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP12 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil collagenase (Homo sapiens (Human))	BDBM50332952 (CHEMBL1233772 | N-hydroxy-2-(N-(2-hydroxyethyl)bip...) Show SMILES OCCN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H18N2O5S/c19-11-10-18(12-16(20)17-21)24(22,23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19,21H,10-12H2,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP8 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434224 (CHEMBL2385485) Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)CCc1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C19H22N2O5S/c22-19(20-23)18-7-4-13-21(18)27(24,25)14-12-15-8-10-17(11-9-15)26-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,23H,4,7,12-14H2,(H,20,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434213 (CHEMBL2385489) Show SMILES ONC(=O)[C@@H]1CCCN1S(=O)(=O)CCc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C14H18N2O6S/c17-14(15-18)11-2-1-6-16(11)23(19,20)7-5-10-3-4-12-13(8-10)22-9-21-12/h3-4,8,11,18H,1-2,5-7,9H2,(H,15,17)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				J Med Chem 60: 9003-9011 (2017) Article DOI: 10.1021/acs.jmedchem.7b01237 BindingDB Entry DOI: 10.7270/Q2KP84K3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50332949 ((R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamido)pr...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C10H14N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13,15H,6H2,1H3,(H,11,14)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP12 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434221 (CHEMBL2385490) Show SMILES ONC(=O)CNS(=O)(=O)CCc1ccc(Cl)s1 Show InChI InChI=1S/C8H11ClN2O4S2/c9-7-2-1-6(16-7)3-4-17(14,15)10-5-8(12)11-13/h1-2,10,13H,3-5H2,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50332948 ((R)-2-(N-((S)-2,3-dihydroxypropyl)-4-methoxyphenyl...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@H](O)CO)[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C13H20N2O8S/c1-23-10-2-4-11(5-3-10)24(21,22)15(6-9(18)7-16)12(8-17)13(19)14-20/h2-5,9,12,16-18,20H,6-8H2,1H3,(H,14,19)/t9-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP12 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434223 (CHEMBL2385486) Show SMILES OC(=O)CNS(=O)(=O)CCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H17NO4S/c18-16(19)12-17-22(20,21)11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50332946 (CHEMBL1234724 | N-hydroxy-2-(N-(2-hydroxyethyl)-4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO Show InChI InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP12 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil collagenase (Homo sapiens (Human))	BDBM50332948 ((R)-2-(N-((S)-2,3-dihydroxypropyl)-4-methoxyphenyl...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@H](O)CO)[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C13H20N2O8S/c1-23-10-2-4-11(5-3-10)24(21,22)15(6-9(18)7-16)12(8-17)13(19)14-20/h2-5,9,12,16-18,20H,6-8H2,1H3,(H,14,19)/t9-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP8 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50332947 ((S)-2-(N-(2,3-dihydroxypropyl)-4-methoxyphenylsulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@H](O)CO)CC(=O)NO |r| Show InChI InChI=1S/C12H18N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16,18H,6-8H2,1H3,(H,13,17)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP12 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50332949 ((R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamido)pr...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C10H14N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13,15H,6H2,1H3,(H,11,14)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP8 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434219 (CHEMBL2385492) Show SMILES ONC(=O)[C@@H]1CCCN1S(=O)(=O)CCc1ccc(Cl)s1 |r| Show InChI InChI=1S/C11H15ClN2O4S2/c12-10-4-3-8(19-10)5-7-20(17,18)14-6-1-2-9(14)11(15)13-16/h3-4,9,16H,1-2,5-7H2,(H,13,15)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM13080 (CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP8 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP8 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50332950 ((2R,3R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamid...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C11H16N2O6S/c1-7(14)10(11(15)12-16)13-20(17,18)9-5-3-8(19-2)4-6-9/h3-7,10,13-14,16H,1-2H3,(H,12,15)/t7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP8 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434225 (CHEMBL2385484) Show SMILES ONC(=O)CNS(=O)(=O)CCc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H18N2O5S/c19-16(18-20)12-17-24(21,22)11-10-13-6-8-15(9-7-13)23-14-4-2-1-3-5-14/h1-9,17,20H,10-12H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434227 (CHEMBL2385482) Show SMILES COc1ccc(CCS(=O)(=O)NCC(=O)NO)cc1 Show InChI InChI=1S/C11H16N2O5S/c1-18-10-4-2-9(3-5-10)6-7-19(16,17)12-8-11(14)13-15/h2-5,12,15H,6-8H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50332950 ((2R,3R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamid...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C11H16N2O6S/c1-7(14)10(11(15)12-16)13-20(17,18)9-5-3-8(19-2)4-6-9/h3-7,10,13-14,16H,1-2H3,(H,12,15)/t7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP12 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50332946 (CHEMBL1234724 | N-hydroxy-2-(N-(2-hydroxyethyl)-4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO Show InChI InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP8 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	14.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP12 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50426079 (CHEMBL2316258) Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)c1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C25H28BrN4O6P/c1-15(23(27)31)28-24(32)16(2)29-25(33)18(14-37(34,35)21-10-8-19(26)9-11-21)12-20-13-22(30-36-20)17-6-4-3-5-7-17/h3-11,13,15-16,18H,12,14H2,1-2H3,(H2,27,31)(H,28,32)(H,29,33)(H,34,35)/t15-,16-,18+/m0/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	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry				J Med Chem 56: 1149-59 (2013) Article DOI: 10.1021/jm301574d BindingDB Entry DOI: 10.7270/Q24F1S24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50206936 (CHEMBL375367 | N-isopropyl-2-(5-nitro-1H-indol-3-y...) Show SMILES CC(C)NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C13H13N3O4/c1-7(2)15-13(18)12(17)10-6-14-11-4-3-8(16(19)20)5-9(10)11/h3-7,14H,1-2H3,(H,15,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells				J Med Chem 50: 1627-34 (2007) Article DOI: 10.1021/jm0607707 BindingDB Entry DOI: 10.7270/Q2K9376Q
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434214 (CHEMBL2385488) Show SMILES ONC(=O)CNS(=O)(=O)CCc1ccc2OCOc2c1 Show InChI InChI=1S/C11H14N2O6S/c14-11(13-15)6-12-20(16,17)4-3-8-1-2-9-10(5-8)19-7-18-9/h1-2,5,12,15H,3-4,6-7H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434215 (CHEMBL2385481) Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C13H18N2O4S/c16-13(14-17)12-7-4-9-15(12)20(18,19)10-8-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,14,16)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50426081 (CHEMBL2316256) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C29H32BrN4O10P/c30-19-6-8-21(9-7-19)45(42,43)16-18(14-20-15-24(34-44-20)17-4-2-1-3-5-17)28(40)33-23(11-13-26(37)38)29(41)32-22(27(31)39)10-12-25(35)36/h1-9,15,18,22-23H,10-14,16H2,(H2,31,39)(H,32,41)(H,33,40)(H,35,36)(H,37,38)(H,42,43)/t18-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry				J Med Chem 56: 1149-59 (2013) Article DOI: 10.1021/jm301574d BindingDB Entry DOI: 10.7270/Q24F1S24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50206941 (CHEMBL376508 | N-(4-bromobenzyl)-2-(1H-indol-3-yl)...) Show SMILES Brc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C17H13BrN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells				J Med Chem 50: 1627-34 (2007) Article DOI: 10.1021/jm0607707 BindingDB Entry DOI: 10.7270/Q2K9376Q
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50332953 ((S)-2-(N-(2,3-dihydroxypropyl)biphenyl-4-ylsulfona...) Show SMILES OC[C@@H](O)CN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N2O6S/c20-12-15(21)10-19(11-17(22)18-23)26(24,25)16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-9,15,20-21,23H,10-12H2,(H,18,22)/t15-/m0/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	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP13 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM11328 (CHEMBL83508 | Hydroxamate 9 | N-hydroxy-2-[(4-meth...) Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(=O)NO Show InChI InChI=1S/C9H12N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)10-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50434216 (CHEMBL2385480) Show SMILES ONC(=O)CNS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C10H14N2O4S/c13-10(12-14)8-11-17(15,16)7-6-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay				ACS Med Chem Lett 4: 565-9 (2013) Article DOI: 10.1021/ml300446a BindingDB Entry DOI: 10.7270/Q2B859HT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil collagenase (Homo sapiens (Human))	BDBM50332947 ((S)-2-(N-(2,3-dihydroxypropyl)-4-methoxyphenylsulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@H](O)CO)CC(=O)NO |r| Show InChI InChI=1S/C12H18N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16,18H,6-8H2,1H3,(H,13,17)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP8 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				J Med Chem 60: 9003-9011 (2017) Article DOI: 10.1021/acs.jmedchem.7b01237 BindingDB Entry DOI: 10.7270/Q2KP84K3
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50332952 (CHEMBL1233772 | N-hydroxy-2-(N-(2-hydroxyethyl)bip...) Show SMILES OCCN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H18N2O5S/c19-11-10-18(12-16(20)17-21)24(22,23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19,21H,10-12H2,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP12 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50206939 (CHEMBL223707 | N-(p-methylbenzyl)-5-nitroindol-3-y...) Show SMILES Cc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H15N3O4/c1-11-2-4-12(5-3-11)9-20-18(23)17(22)15-10-19-16-7-6-13(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells				J Med Chem 50: 1627-34 (2007) Article DOI: 10.1021/jm0607707 BindingDB Entry DOI: 10.7270/Q2K9376Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50332948 ((R)-2-(N-((S)-2,3-dihydroxypropyl)-4-methoxyphenyl...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@H](O)CO)[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C13H20N2O8S/c1-23-10-2-4-11(5-3-10)24(21,22)15(6-9(18)7-16)12(8-17)13(19)14-20/h2-5,9,12,16-18,20H,6-8H2,1H3,(H,14,19)/t9-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP1 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair

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