Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'rane' and Initial = 'ra'   

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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123830 (4,5-dibromo-N'-(4-chlorobenzylidene)-1-methyl-...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(Cl)cc1 |w:11.11| Show InChI InChI=1S/C13H10Br2ClN3O/c1-19-11(6-10(14)12(19)15)13(20)18-17-7-8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	-33.7	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123825 (4,5-dibromo-N'-[(4-fluorophenyl)methylidene]-1...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(F)cc1 |w:11.11| Show InChI InChI=1S/C13H10Br2FN3O/c1-19-11(6-10(14)12(19)15)13(20)18-17-7-8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	-33.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123833 (4,5-dibromo-N'-(2,4-dichlorobenzylidene)-1-met...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(Cl)cc1Cl |w:11.11| Show InChI InChI=1S/C13H9Br2Cl2N3O/c1-20-11(5-9(14)12(20)15)13(21)19-18-6-7-2-3-8(16)4-10(7)17/h2-6H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	-33.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123832 (4,5-dibromo-N'-(4-methoxybenzylidene)-1-methyl...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)n2C)cc1 |w:7.7| Show InChI InChI=1S/C14H13Br2N3O2/c1-19-12(7-11(15)13(19)16)14(20)18-17-8-9-3-5-10(21-2)6-4-9/h3-8H,1-2H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	-32.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123823 (4,5-dibromo-N'-[(2,4-dichlorophenyl)methyliden...) Show SMILES Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)c(Cl)c1 |w:6.6| Show InChI InChI=1S/C12H7Br2Cl2N3O/c13-8-4-10(18-11(8)14)12(20)19-17-5-6-1-2-7(15)3-9(6)16/h1-5,18H,(H,19,20)/b17-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123831 (4,5-dibromo-N'-(3,4-dimethoxybenzylidene)-1-me...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)n2C)cc1OC |w:7.7| Show InChI InChI=1S/C15H15Br2N3O3/c1-20-11(7-10(16)14(20)17)15(21)19-18-8-9-4-5-12(22-2)13(6-9)23-3/h4-8H,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	-32.5	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123828 (4,5-dibromo-N'-(2,6-dichlorobenzylidene)-1-met...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1c(Cl)cccc1Cl |w:11.11| Show InChI InChI=1S/C13H9Br2Cl2N3O/c1-20-11(5-8(14)12(20)15)13(21)19-18-6-7-9(16)3-2-4-10(7)17/h2-6H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	-32.1	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123820 (4,5-dibromo-N'-[(4-chlorophenyl)methylidene]-1...) Show SMILES Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6| Show InChI InChI=1S/C12H8Br2ClN3O/c13-9-5-10(17-11(9)14)12(19)18-16-6-7-1-3-8(15)4-2-7/h1-6,17H,(H,18,19)/b16-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	-32.1	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123824 (4,5-dibromo-N'-(2-hydroxybenzylidene)-1-methyl...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccccc1O |w:11.11| Show InChI InChI=1S/C13H11Br2N3O2/c1-18-10(6-9(14)12(18)15)13(20)17-16-7-8-4-2-3-5-11(8)19/h2-7,19H,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70E+3	-31.6	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123815 (4,5-dibromo-N'-(4-fluorobenzylidene)-1H-pyrrol...) Show SMILES Fc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6| Show InChI InChI=1S/C12H8Br2FN3O/c13-9-5-10(17-11(9)14)12(19)18-16-6-7-1-3-8(15)4-2-7/h1-6,17H,(H,18,19)/b16-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	-31.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123818 (4,5-dibromo-N'-(2,6-dichlorobenzylidene)-1Hpyr...) Show SMILES Clc1cccc(Cl)c1C=NNC(=O)c1cc(Br)c(Br)[nH]1 |w:9.10| Show InChI InChI=1S/C12H7Br2Cl2N3O/c13-7-4-10(18-11(7)14)12(20)19-17-5-6-8(15)2-1-3-9(6)16/h1-5,18H,(H,19,20)/b17-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.20E+3	-31.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123829 (4,5-dibromo-N'-(3,4-dihydroxybenzylidene)-1-me...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(O)c(O)c1 |w:11.11| Show InChI InChI=1S/C13H11Br2N3O3/c1-18-9(5-8(14)12(18)15)13(21)17-16-6-7-2-3-10(19)11(20)4-7/h2-6,19-20H,1H3,(H,17,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10E+3	-31.0	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123822 (4,5-dibromo-N'-(4-methoxybenzylidene)-1Hpyrrol...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:7.7| Show InChI InChI=1S/C13H11Br2N3O2/c1-20-9-4-2-8(3-5-9)7-16-18-13(19)11-6-10(14)12(15)17-11/h2-7,17H,1H3,(H,18,19)/b16-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.55E+3	-30.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123826 (4,5-dibromo-1-methyl-N'-(4-nitrobenzylidene)-1...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(cc1)[N+]([O-])=O |w:11.11| Show InChI InChI=1S/C13H10Br2N4O3/c1-18-11(6-10(14)12(18)15)13(20)17-16-7-8-2-4-9(5-3-8)19(21)22/h2-7H,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.90E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123827 (4,5-dibromo-N'-(4-hydroxybenzylidene)-1-methyl...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(O)cc1 |w:11.11| Show InChI InChI=1S/C13H11Br2N3O2/c1-18-11(6-10(14)12(18)15)13(20)17-16-7-8-2-4-9(19)5-3-8/h2-7,19H,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123814 (4,5-dibromo-N'-(2-hydroxybenzylidene)-1H-pyrro...) Show SMILES Oc1ccccc1C=NNC(=O)c1cc(Br)c(Br)[nH]1 |w:8.9| Show InChI InChI=1S/C12H9Br2N3O2/c13-8-5-9(16-11(8)14)12(19)17-15-6-7-3-1-2-4-10(7)18/h1-6,16,18H,(H,17,19)/b15-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.90E+3	-30.0	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123823 (4,5-dibromo-N'-[(2,4-dichlorophenyl)methyliden...) Show SMILES Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)c(Cl)c1 |w:6.6| Show InChI InChI=1S/C12H7Br2Cl2N3O/c13-8-4-10(18-11(8)14)12(20)19-17-5-6-1-2-7(15)3-9(6)16/h1-5,18H,(H,19,20)/b17-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	-29.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123821 (4,5-dibromo-N'-(3,4-dimethoxybenzylidene)-1Hpy...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1OC |w:7.7| Show InChI InChI=1S/C14H13Br2N3O3/c1-21-11-4-3-8(5-12(11)22-2)7-17-19-14(20)10-6-9(15)13(16)18-10/h3-7,18H,1-2H3,(H,19,20)/b17-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.13E+4	-29.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123828 (4,5-dibromo-N'-(2,6-dichlorobenzylidene)-1-met...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1c(Cl)cccc1Cl |w:11.11| Show InChI InChI=1S/C13H9Br2Cl2N3O/c1-20-11(5-8(14)12(20)15)13(21)19-18-6-7-9(16)3-2-4-10(7)17/h2-6H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.23E+4	-29.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123820 (4,5-dibromo-N'-[(4-chlorophenyl)methylidene]-1...) Show SMILES Clc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6| Show InChI InChI=1S/C12H8Br2ClN3O/c13-9-5-10(17-11(9)14)12(19)18-16-6-7-1-3-8(15)4-2-7/h1-6,17H,(H,18,19)/b16-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.25E+4	-29.1	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123833 (4,5-dibromo-N'-(2,4-dichlorobenzylidene)-1-met...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(Cl)cc1Cl |w:11.11| Show InChI InChI=1S/C13H9Br2Cl2N3O/c1-20-11(5-9(14)12(20)15)13(21)19-18-6-7-2-3-8(16)4-10(7)17/h2-6H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.29E+4	-29.0	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123827 (4,5-dibromo-N'-(4-hydroxybenzylidene)-1-methyl...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(O)cc1 |w:11.11| Show InChI InChI=1S/C13H11Br2N3O2/c1-18-11(6-10(14)12(18)15)13(20)17-16-7-8-2-4-9(19)5-3-8/h2-7,19H,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.33E+4	-29.0	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123832 (4,5-dibromo-N'-(4-methoxybenzylidene)-1-methyl...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)n2C)cc1 |w:7.7| Show InChI InChI=1S/C14H13Br2N3O2/c1-19-12(7-11(15)13(19)16)14(20)18-17-8-9-3-5-10(21-2)6-4-9/h3-8H,1-2H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.38E+4	-28.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123816 (4,5-dibromo-N'-(4-nitrobenzylidene)-1H-pyrrole...) Show SMILES [O-][N+](=O)c1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:8.8| Show InChI InChI=1S/C12H8Br2N4O3/c13-9-5-10(16-11(9)14)12(19)17-15-6-7-1-3-8(4-2-7)18(20)21/h1-6,16H,(H,17,19)/b15-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.44E+4	-28.7	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123817 (4,5-dibromo-N'-(4-hydroxybenzylidene)-1H-pyrro...) Show SMILES Oc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6| Show InChI InChI=1S/C12H9Br2N3O2/c13-9-5-10(16-11(9)14)12(19)17-15-6-7-1-3-8(18)4-2-7/h1-6,16,18H,(H,17,19)/b15-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.59E+4	-28.5	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123819 (4,5-dibromo-N'-(3,4-dihydroxybenzylidene)-1Hpy...) Show SMILES Oc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1O |w:6.6| Show InChI InChI=1S/C12H9Br2N3O3/c13-7-4-8(16-11(7)14)12(20)17-15-5-6-1-2-9(18)10(19)3-6/h1-5,16,18-19H,(H,17,20)/b15-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.73E+4	-28.3	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123829 (4,5-dibromo-N'-(3,4-dihydroxybenzylidene)-1-me...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(O)c(O)c1 |w:11.11| Show InChI InChI=1S/C13H11Br2N3O3/c1-18-9(5-8(14)12(18)15)13(21)17-16-6-7-2-3-10(19)11(20)4-7/h2-6,19-20H,1H3,(H,17,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.04E+4	-27.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123818 (4,5-dibromo-N'-(2,6-dichlorobenzylidene)-1Hpyr...) Show SMILES Clc1cccc(Cl)c1C=NNC(=O)c1cc(Br)c(Br)[nH]1 |w:9.10| Show InChI InChI=1S/C12H7Br2Cl2N3O/c13-7-4-10(18-11(7)14)12(20)19-17-5-6-8(15)2-1-3-9(6)16/h1-5,18H,(H,19,20)/b17-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.05E+4	-27.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123822 (4,5-dibromo-N'-(4-methoxybenzylidene)-1Hpyrrol...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:7.7| Show InChI InChI=1S/C13H11Br2N3O2/c1-20-9-4-2-8(3-5-9)7-16-18-13(19)11-6-10(14)12(15)17-11/h2-7,17H,1H3,(H,18,19)/b16-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.12E+4	-27.7	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123831 (4,5-dibromo-N'-(3,4-dimethoxybenzylidene)-1-me...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)n2C)cc1OC |w:7.7| Show InChI InChI=1S/C15H15Br2N3O3/c1-20-11(7-10(16)14(20)17)15(21)19-18-8-9-4-5-12(22-2)13(6-9)23-3/h4-8H,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.17E+4	-27.7	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123824 (4,5-dibromo-N'-(2-hydroxybenzylidene)-1-methyl...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccccc1O |w:11.11| Show InChI InChI=1S/C13H11Br2N3O2/c1-18-10(6-9(14)12(18)15)13(20)17-16-7-8-4-2-3-5-11(8)19/h2-7,19H,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.28E+4	-27.6	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123815 (4,5-dibromo-N'-(4-fluorobenzylidene)-1H-pyrrol...) Show SMILES Fc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6| Show InChI InChI=1S/C12H8Br2FN3O/c13-9-5-10(17-11(9)14)12(19)18-16-6-7-1-3-8(15)4-2-7/h1-6,17H,(H,18,19)/b16-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.45E+4	-27.4	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123821 (4,5-dibromo-N'-(3,4-dimethoxybenzylidene)-1Hpy...) Show SMILES COc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1OC |w:7.7| Show InChI InChI=1S/C14H13Br2N3O3/c1-21-11-4-3-8(5-12(11)22-2)7-17-19-14(20)10-6-9(15)13(16)18-10/h3-7,18H,1-2H3,(H,19,20)/b17-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.61E+4	-27.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123830 (4,5-dibromo-N'-(4-chlorobenzylidene)-1-methyl-...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(Cl)cc1 |w:11.11| Show InChI InChI=1S/C13H10Br2ClN3O/c1-19-11(6-10(14)12(19)15)13(20)18-17-7-8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.69E+4	-27.1	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123814 (4,5-dibromo-N'-(2-hydroxybenzylidene)-1H-pyrro...) Show SMILES Oc1ccccc1C=NNC(=O)c1cc(Br)c(Br)[nH]1 |w:8.9| Show InChI InChI=1S/C12H9Br2N3O2/c13-8-5-9(16-11(8)14)12(19)17-15-6-7-3-1-2-4-10(7)18/h1-6,16,18H,(H,17,19)/b15-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.78E+4	-26.3	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123825 (4,5-dibromo-N'-[(4-fluorophenyl)methylidene]-1...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(F)cc1 |w:11.11| Show InChI InChI=1S/C13H10Br2FN3O/c1-19-11(6-10(14)12(19)15)13(20)18-17-7-8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.81E+4	-26.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123826 (4,5-dibromo-1-methyl-N'-(4-nitrobenzylidene)-1...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NN=Cc1ccc(cc1)[N+]([O-])=O |w:11.11| Show InChI InChI=1S/C13H10Br2N4O3/c1-18-11(6-10(14)12(18)15)13(20)17-16-7-8-2-4-9(5-3-8)19(21)22/h2-7H,1H3,(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.05E+4	-26.1	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123817 (4,5-dibromo-N'-(4-hydroxybenzylidene)-1H-pyrro...) Show SMILES Oc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:6.6| Show InChI InChI=1S/C12H9Br2N3O2/c13-9-5-10(16-11(9)14)12(19)17-15-6-7-1-3-8(18)4-2-7/h1-6,16,18H,(H,17,19)/b15-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.26E+4	-26.0	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM123819 (4,5-dibromo-N'-(3,4-dihydroxybenzylidene)-1Hpy...) Show SMILES Oc1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1O |w:6.6| Show InChI InChI=1S/C12H9Br2N3O3/c13-7-4-8(16-11(7)14)12(20)17-15-5-6-1-2-9(18)10(19)3-6/h1-5,16,18-19H,(H,17,20)/b15-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.48E+4	-25.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM123816 (4,5-dibromo-N'-(4-nitrobenzylidene)-1H-pyrrole...) Show SMILES [O-][N+](=O)c1ccc(C=NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 |w:8.8| Show InChI InChI=1S/C12H8Br2N4O3/c13-9-5-10(16-11(9)14)12(19)17-15-6-7-1-3-8(4-2-7)18(20)21/h1-6,16H,(H,17,19)/b15-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.63E+4	-24.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of KwaZulu-Natal					Assay Description The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; p...				Chem Biol Drug Des 84: 593-602 (2014) Article DOI: 10.1111/cbdd.12352 BindingDB Entry DOI: 10.7270/Q2RB738C
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50491188 (CHEMBL151430) Show SMILES Nc1nc(c[nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12 Show InChI InChI=1S/C11H11Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h3-4,18H,1-2H2,(H,15,19)(H3,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
NMIMS University Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin)				Eur J Med Chem 63: 793-9 (2013) Article DOI: 10.1016/j.ejmech.2013.03.029 BindingDB Entry DOI: 10.7270/Q24T6N99
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.U's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay				Bioorg Med Chem 22: 2855-66 (2014) Article DOI: 10.1016/j.bmc.2014.03.043 BindingDB Entry DOI: 10.7270/Q26H4JXW
					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM153386 (2-(4,5-Dibromo-1H-pyrrole-2-carbonyl)-N-(4-chlorop...) Show SMILES Clc1ccc(NC(=S)NNC(=O)c2cc(Br)c(Br)[nH]2)cc1 Show InChI InChI=1S/C12H9Br2ClN4OS/c13-8-5-9(17-10(8)14)11(20)18-19-12(21)16-7-3-1-6(15)2-4-7/h1-5,17H,(H,18,20)(H2,16,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	8.5	25
University of KwaZulu-Nata					Assay Description The synthesized compounds were assayed for the inhibitory activities against MMP-2 in 96-well microtiter plates using succinylated gelatin as the sub...				Chem Biol Drug Des 86: 210-22 (2015) Article DOI: 10.1111/cbdd.12481 BindingDB Entry DOI: 10.7270/Q2K64GSK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM13066 (2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...) Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.U's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay				Bioorg Med Chem 22: 2855-66 (2014) Article DOI: 10.1016/j.bmc.2014.03.043 BindingDB Entry DOI: 10.7270/Q26H4JXW
					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM153388 (2-(1-Methyl-4,5-dibromo-1H-pyrrole-2-carbonyl)-N-(...) Show SMILES Cn1c(Br)c(Br)cc1C(=O)NNC(=S)Nc1ccccc1F Show InChI InChI=1S/C13H11Br2FN4OS/c1-20-10(6-7(14)11(20)15)12(21)18-19-13(22)17-9-5-3-2-4-8(9)16/h2-6H,1H3,(H,18,21)(H2,17,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	8.5	25
University of KwaZulu-Nata					Assay Description The synthesized compounds were assayed for the inhibitory activities against MMP-2 in 96-well microtiter plates using succinylated gelatin as the sub...				Chem Biol Drug Des 86: 210-22 (2015) Article DOI: 10.1111/cbdd.12481 BindingDB Entry DOI: 10.7270/Q2K64GSK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50014170 (CHEMBL3260869) Show SMILES Clc1cccc(NCn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)c1 Show InChI InChI=1S/C22H17Cl3N4OS/c23-15-6-3-7-16(12-15)26-13-29-22(31)30-20(28-29)11-14-5-1-2-10-19(14)27-21-17(24)8-4-9-18(21)25/h1-10,12,26-27H,11,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.U's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay				Bioorg Med Chem 22: 2855-66 (2014) Article DOI: 10.1016/j.bmc.2014.03.043 BindingDB Entry DOI: 10.7270/Q26H4JXW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50014168 (CHEMBL3260867) Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CNC2CCCCC2)c(=S)o1 Show InChI InChI=1S/C22H24Cl2N4OS/c23-17-10-6-11-18(24)21(17)26-19-12-5-4-7-15(19)13-20-27-28(22(30)29-20)14-25-16-8-2-1-3-9-16/h4-7,10-12,16,25-26H,1-3,8-9,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.U's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay				Bioorg Med Chem 22: 2855-66 (2014) Article DOI: 10.1016/j.bmc.2014.03.043 BindingDB Entry DOI: 10.7270/Q26H4JXW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50014167 (CHEMBL3260864) Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CN2CCNCC2)c(=S)o1 Show InChI InChI=1S/C20H21Cl2N5OS/c21-15-5-3-6-16(22)19(15)24-17-7-2-1-4-14(17)12-18-25-27(20(29)28-18)13-26-10-8-23-9-11-26/h1-7,23-24H,8-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.U's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay				Bioorg Med Chem 22: 2855-66 (2014) Article DOI: 10.1016/j.bmc.2014.03.043 BindingDB Entry DOI: 10.7270/Q26H4JXW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50014166 (CHEMBL3260863) Show SMILES CCN1CCN(Cn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)CC1 Show InChI InChI=1S/C22H25Cl2N5OS/c1-2-27-10-12-28(13-11-27)15-29-22(31)30-20(26-29)14-16-6-3-4-9-19(16)25-21-17(23)7-5-8-18(21)24/h3-9,25H,2,10-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.U's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay				Bioorg Med Chem 22: 2855-66 (2014) Article DOI: 10.1016/j.bmc.2014.03.043 BindingDB Entry DOI: 10.7270/Q26H4JXW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50014169 (CHEMBL3260868) Show SMILES Clc1ccccc1NCn1nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)oc1=S Show InChI InChI=1S/C22H17Cl3N4OS/c23-15-7-2-4-11-19(15)26-13-29-22(31)30-20(28-29)12-14-6-1-3-10-18(14)27-21-16(24)8-5-9-17(21)25/h1-11,26-27H,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.U's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay				Bioorg Med Chem 22: 2855-66 (2014) Article DOI: 10.1016/j.bmc.2014.03.043 BindingDB Entry DOI: 10.7270/Q26H4JXW
					More data for this Ligand-Target Pair

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