Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'dassonville' and Initial = 'a'   

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))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50135601 ((S,E)-N1-(3-(1H-indol-3-yl)-1-(methylamino)-1-oxop...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(\CC(=O)NO)=C\C(C)C Show InChI InChI=1S/C20H26N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-8,11-12,17,22,28H,9-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/b13-8+/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50135601 ((S,E)-N1-(3-(1H-indol-3-yl)-1-(methylamino)-1-oxop...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(\CC(=O)NO)=C\C(C)C Show InChI InChI=1S/C20H26N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-8,11-12,17,22,28H,9-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/b13-8+/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50135601 ((S,E)-N1-(3-(1H-indol-3-yl)-1-(methylamino)-1-oxop...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(\CC(=O)NO)=C\C(C)C Show InChI InChI=1S/C20H26N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-8,11-12,17,22,28H,9-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/b13-8+/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50135601 ((S,E)-N1-(3-(1H-indol-3-yl)-1-(methylamino)-1-oxop...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(\CC(=O)NO)=C\C(C)C Show InChI InChI=1S/C20H26N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-8,11-12,17,22,28H,9-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/b13-8+/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50213416 ((2E)-3-(N-hydroxycarbamoyl)-2-[(2E)-3-phenylprop-2...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NO)=CC=Cc1ccccc1 |w:24.26,26.28| Show InChI InChI=1S/C25H26N4O4/c1-26-25(32)22(14-19-16-27-21-13-6-5-12-20(19)21)28-24(31)18(15-23(30)29-33)11-7-10-17-8-3-2-4-9-17/h2-13,16,22,27,33H,14-15H2,1H3,(H,26,32)(H,28,31)(H,29,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50213419 ((2E)-3-(N-hydroxycarbamoyl)-2-(3-phenylpropylidene...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NO)=CCCc1ccccc1 |w:24.26| Show InChI InChI=1S/C25H28N4O4/c1-26-25(32)22(14-19-16-27-21-13-6-5-12-20(19)21)28-24(31)18(15-23(30)29-33)11-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-13,16,22,27,33H,7,10,14-15H2,1H3,(H,26,32)(H,28,31)(H,29,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50213418 ((2E)-3-(N-hydroxycarbamoyl)-2-heptylidenepropionyl...) Show SMILES CCCCCC\C=C(/CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C23H32N4O4/c1-3-4-5-6-7-10-16(14-21(28)27-31)22(29)26-20(23(30)24-2)13-17-15-25-19-12-9-8-11-18(17)19/h8-12,15,20,25,31H,3-7,13-14H2,1-2H3,(H,24,30)(H,26,29)(H,27,28)/b16-10+/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213416 ((2E)-3-(N-hydroxycarbamoyl)-2-[(2E)-3-phenylprop-2...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NO)=CC=Cc1ccccc1 |w:24.26,26.28| Show InChI InChI=1S/C25H26N4O4/c1-26-25(32)22(14-19-16-27-21-13-6-5-12-20(19)21)28-24(31)18(15-23(30)29-33)11-7-10-17-8-3-2-4-9-17/h2-13,16,22,27,33H,14-15H2,1H3,(H,26,32)(H,28,31)(H,29,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213418 ((2E)-3-(N-hydroxycarbamoyl)-2-heptylidenepropionyl...) Show SMILES CCCCCC\C=C(/CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C23H32N4O4/c1-3-4-5-6-7-10-16(14-21(28)27-31)22(29)26-20(23(30)24-2)13-17-15-25-19-12-9-8-11-18(17)19/h8-12,15,20,25,31H,3-7,13-14H2,1-2H3,(H,24,30)(H,26,29)(H,27,28)/b16-10+/t20-/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	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213418 ((2E)-3-(N-hydroxycarbamoyl)-2-heptylidenepropionyl...) Show SMILES CCCCCC\C=C(/CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C23H32N4O4/c1-3-4-5-6-7-10-16(14-21(28)27-31)22(29)26-20(23(30)24-2)13-17-15-25-19-12-9-8-11-18(17)19/h8-12,15,20,25,31H,3-7,13-14H2,1-2H3,(H,24,30)(H,26,29)(H,27,28)/b16-10+/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50135601 ((S,E)-N1-(3-(1H-indol-3-yl)-1-(methylamino)-1-oxop...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(\CC(=O)NO)=C\C(C)C Show InChI InChI=1S/C20H26N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-8,11-12,17,22,28H,9-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/b13-8+/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213419 ((2E)-3-(N-hydroxycarbamoyl)-2-(3-phenylpropylidene...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NO)=CCCc1ccccc1 |w:24.26| Show InChI InChI=1S/C25H28N4O4/c1-26-25(32)22(14-19-16-27-21-13-6-5-12-20(19)21)28-24(31)18(15-23(30)29-33)11-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-13,16,22,27,33H,7,10,14-15H2,1H3,(H,26,32)(H,28,31)(H,29,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14?,18+,19-/m0/s1	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes assessed as tritiated water release after 15 mins using [1beta, 3H]androstenedione as substrate...				Eur J Med Chem 43: 1865-77 (2008) Article DOI: 10.1016/j.ejmech.2007.11.021 BindingDB Entry DOI: 10.7270/Q2ZW1KPN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50213417 ((2E)-3-(N-hydroxycarbamoyl)-2-[(2E)-but-2-en-1-yli...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC=CC)=CC(=O)NO |w:23.25,21.23| Show InChI InChI=1S/C20H24N4O4/c1-3-4-7-13(11-18(25)24-28)19(26)23-17(20(27)21-2)10-14-12-22-16-9-6-5-8-15(14)16/h3-6,8-9,11-12,17,22,28H,7,10H2,1-2H3,(H,21,27)(H,23,26)(H,24,25)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	913	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50213417 ((2E)-3-(N-hydroxycarbamoyl)-2-[(2E)-but-2-en-1-yli...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC=CC)=CC(=O)NO |w:23.25,21.23| Show InChI InChI=1S/C20H24N4O4/c1-3-4-7-13(11-18(25)24-28)19(26)23-17(20(27)21-2)10-14-12-22-16-9-6-5-8-15(14)16/h3-6,8-9,11-12,17,22,28H,7,10H2,1-2H3,(H,21,27)(H,23,26)(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	974	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50213417 ((2E)-3-(N-hydroxycarbamoyl)-2-[(2E)-but-2-en-1-yli...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC=CC)=CC(=O)NO |w:23.25,21.23| Show InChI InChI=1S/C20H24N4O4/c1-3-4-7-13(11-18(25)24-28)19(26)23-17(20(27)21-2)10-14-12-22-16-9-6-5-8-15(14)16/h3-6,8-9,11-12,17,22,28H,7,10H2,1-2H3,(H,21,27)(H,23,26)(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	984	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50213416 ((2E)-3-(N-hydroxycarbamoyl)-2-[(2E)-3-phenylprop-2...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NO)=CC=Cc1ccccc1 |w:24.26,26.28| Show InChI InChI=1S/C25H26N4O4/c1-26-25(32)22(14-19-16-27-21-13-6-5-12-20(19)21)28-24(31)18(15-23(30)29-33)11-7-10-17-8-3-2-4-9-17/h2-13,16,22,27,33H,14-15H2,1H3,(H,26,32)(H,28,31)(H,29,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50213419 ((2E)-3-(N-hydroxycarbamoyl)-2-(3-phenylpropylidene...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NO)=CCCc1ccccc1 |w:24.26| Show InChI InChI=1S/C25H28N4O4/c1-26-25(32)22(14-19-16-27-21-13-6-5-12-20(19)21)28-24(31)18(15-23(30)29-33)11-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-13,16,22,27,33H,7,10,14-15H2,1H3,(H,26,32)(H,28,31)(H,29,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50213416 ((2E)-3-(N-hydroxycarbamoyl)-2-[(2E)-3-phenylprop-2...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NO)=CC=Cc1ccccc1 |w:24.26,26.28| Show InChI InChI=1S/C25H26N4O4/c1-26-25(32)22(14-19-16-27-21-13-6-5-12-20(19)21)28-24(31)18(15-23(30)29-33)11-7-10-17-8-3-2-4-9-17/h2-13,16,22,27,33H,14-15H2,1H3,(H,26,32)(H,28,31)(H,29,30)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50213418 ((2E)-3-(N-hydroxycarbamoyl)-2-heptylidenepropionyl...) Show SMILES CCCCCC\C=C(/CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C23H32N4O4/c1-3-4-5-6-7-10-16(14-21(28)27-31)22(29)26-20(23(30)24-2)13-17-15-25-19-12-9-8-11-18(17)19/h8-12,15,20,25,31H,3-7,13-14H2,1-2H3,(H,24,30)(H,26,29)(H,27,28)/b16-10+/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602550 (CHEMBL5177406) Show SMILES CCCCCNC[C@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602553 (CHEMBL5204309) Show SMILES CCCCCCCNC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50213417 ((2E)-3-(N-hydroxycarbamoyl)-2-[(2E)-but-2-en-1-yli...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC=CC)=CC(=O)NO |w:23.25,21.23| Show InChI InChI=1S/C20H24N4O4/c1-3-4-7-13(11-18(25)24-28)19(26)23-17(20(27)21-2)10-14-12-22-16-9-6-5-8-15(14)16/h3-6,8-9,11-12,17,22,28H,7,10H2,1-2H3,(H,21,27)(H,23,26)(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602551 (CHEMBL5181317) Show SMILES CCCCCNC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50213419 ((2E)-3-(N-hydroxycarbamoyl)-2-(3-phenylpropylidene...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NO)=CCCc1ccccc1 |w:24.26| Show InChI InChI=1S/C25H28N4O4/c1-26-25(32)22(14-19-16-27-21-13-6-5-12-20(19)21)28-24(31)18(15-23(30)29-33)11-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-13,16,22,27,33H,7,10,14-15H2,1H3,(H,26,32)(H,28,31)(H,29,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	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	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes assessed as tritiated water release after 15 mins using [1beta, 3H]androstenedione as substrate...				Eur J Med Chem 43: 1865-77 (2008) Article DOI: 10.1016/j.ejmech.2007.11.021 BindingDB Entry DOI: 10.7270/Q2ZW1KPN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50213416 ((2E)-3-(N-hydroxycarbamoyl)-2-[(2E)-3-phenylprop-2...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)NO)=CC=Cc1ccccc1 |w:24.26,26.28| Show InChI InChI=1S/C25H26N4O4/c1-26-25(32)22(14-19-16-27-21-13-6-5-12-20(19)21)28-24(31)18(15-23(30)29-33)11-7-10-17-8-3-2-4-9-17/h2-13,16,22,27,33H,14-15H2,1H3,(H,26,32)(H,28,31)(H,29,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602552 (CHEMBL5191501) Show SMILES CCCCCCCNC[C@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50213418 ((2E)-3-(N-hydroxycarbamoyl)-2-heptylidenepropionyl...) Show SMILES CCCCCC\C=C(/CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C23H32N4O4/c1-3-4-5-6-7-10-16(14-21(28)27-31)22(29)26-20(23(30)24-2)13-17-15-25-19-12-9-8-11-18(17)19/h8-12,15,20,25,31H,3-7,13-14H2,1-2H3,(H,24,30)(H,26,29)(H,27,28)/b16-10+/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes assessed as tritiated water release after 15 mins using [1beta, 3H]androstenedione as substrate...				Eur J Med Chem 43: 1865-77 (2008) Article DOI: 10.1016/j.ejmech.2007.11.021 BindingDB Entry DOI: 10.7270/Q2ZW1KPN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair

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