Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'timiri' and Initial = 'ak'   

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] A (Homo sapiens (Human))	BDBM15613 (4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...) Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50420209 (CHEMBL91153) Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50011421 (2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150763 (2-(Naphthalen-1-yl)-4H-chromen-4-one (3o)) Show SMILES O=c1cc(oc2ccccc12)-c1cccc2ccccc12 Show InChI InChI=1S/C19H12O2/c20-17-12-19(21-18-11-4-3-9-16(17)18)15-10-5-7-13-6-1-2-8-14(13)15/h1-12H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150758 (2-(2-Hydroxyphenyl)-4H-chromen-4-one (3d) | US9271...) Show SMILES Oc1ccccc1-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H10O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-9,16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150762 (2-(4-Bromophenyl)-4H-chromen-4-one (3n)) Show SMILES Brc1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150757 (2-(4-Chlorophenyl)-4H-chromen-4-one (3c)) Show SMILES Clc1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150763 (2-(Naphthalen-1-yl)-4H-chromen-4-one (3o)) Show SMILES O=c1cc(oc2ccccc12)-c1cccc2ccccc12 Show InChI InChI=1S/C19H12O2/c20-17-12-19(21-18-11-4-3-9-16(17)18)15-10-5-7-13-6-1-2-8-14(13)15/h1-12H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50431165 (2-(3-hydroxyphenyl)-4H-chromen-4-one (2) | CHEMBL1...) Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50011421 (2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150760 (2-(3-Methoxyphenyl)-4H-chromen-4-one (3h)) Show SMILES COc1cccc(c1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C16H12O3/c1-18-12-6-4-5-11(9-12)16-10-14(17)13-7-2-3-8-15(13)19-16/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150761 (4-(4-Oxo-4H-chromen-2-yl)benzonitrile (3m)) Show SMILES O=c1cc(oc2ccccc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H9NO2/c17-10-11-5-7-12(8-6-11)16-9-14(18)13-3-1-2-4-15(13)19-16/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50310190 (2-p-Tolyl-chromen-4-one | 2-p-tolyl-4H-chromen-4-o...) Show SMILES Cc1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50011446 (2-(4-Hydroxy-phenyl)-chromen-4-one | 2-(4-hydroxyp...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H10O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9,16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50028962 (CHEMBL275638 | flavone) Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150765 (2-(Anthracen-9-yl)-4H-chromen-4-one (3q)) Show SMILES O=c1cc(oc2ccccc12)-c1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C23H14O2/c24-20-14-22(25-21-12-6-5-11-19(20)21)23-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)23/h1-14H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150756 (2-(2-Chlorophenyl)-4H-1-Benzopyran-4-one (3b)) Show SMILES Clc1ccccc1-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H9ClO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150764 (2-(Naphthalen-2-yl)-4H-chromen-4-one (3p)) Show SMILES O=c1cc(oc2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C19H12O2/c20-17-12-19(21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15613 (4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...) Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150759 (2-(2-Methoxyphenyl)-4H-chromen-4-one (3g)) Show SMILES COc1ccccc1-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C16H12O3/c1-18-14-8-4-3-7-12(14)16-10-13(17)11-6-2-5-9-15(11)19-16/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50310189 (2-(4-Methoxy-phenyl)-chromen-4-one | 2-(4-methoxyp...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150765 (2-(Anthracen-9-yl)-4H-chromen-4-one (3q)) Show SMILES O=c1cc(oc2ccccc12)-c1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C23H14O2/c24-20-14-22(25-21-12-6-5-11-19(20)21)23-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)23/h1-14H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150756 (2-(2-Chlorophenyl)-4H-1-Benzopyran-4-one (3b)) Show SMILES Clc1ccccc1-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H9ClO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150767 (2-(Pyridin-3-yl)-4H-chromen-4-one (3s)) Show SMILES O=c1cc(oc2ccccc12)-c1cccnc1 Show InChI InChI=1S/C14H9NO2/c16-12-8-14(10-4-3-7-15-9-10)17-13-6-2-1-5-11(12)13/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150760 (2-(3-Methoxyphenyl)-4H-chromen-4-one (3h)) Show SMILES COc1cccc(c1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C16H12O3/c1-18-12-6-4-5-11(9-12)16-10-14(17)13-7-2-3-8-15(13)19-16/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150762 (2-(4-Bromophenyl)-4H-chromen-4-one (3n)) Show SMILES Brc1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50028962 (CHEMBL275638 | flavone) Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150764 (2-(Naphthalen-2-yl)-4H-chromen-4-one (3p)) Show SMILES O=c1cc(oc2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C19H12O2/c20-17-12-19(21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50310189 (2-(4-Methoxy-phenyl)-chromen-4-one | 2-(4-methoxyp...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150766 (2-(Thiophen-2-yl)-4H-chromen-4-one (3r)) Show SMILES O=c1cc(oc2ccccc12)-c1cccs1 Show InChI InChI=1S/C13H8O2S/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-8H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50431165 (2-(3-hydroxyphenyl)-4H-chromen-4-one (2) | CHEMBL1...) Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150759 (2-(2-Methoxyphenyl)-4H-chromen-4-one (3g)) Show SMILES COc1ccccc1-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C16H12O3/c1-18-14-8-4-3-7-12(14)16-10-13(17)11-6-2-5-9-15(11)19-16/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50310190 (2-p-Tolyl-chromen-4-one | 2-p-tolyl-4H-chromen-4-o...) Show SMILES Cc1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150757 (2-(4-Chlorophenyl)-4H-chromen-4-one (3c)) Show SMILES Clc1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50420209 (CHEMBL91153) Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50011446 (2-(4-Hydroxy-phenyl)-chromen-4-one | 2-(4-hydroxyp...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H10O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9,16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	5.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150767 (2-(Pyridin-3-yl)-4H-chromen-4-one (3s)) Show SMILES O=c1cc(oc2ccccc12)-c1cccnc1 Show InChI InChI=1S/C14H9NO2/c16-12-8-14(10-4-3-7-15-9-10)17-13-6-2-1-5-11(12)13/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM150758 (2-(2-Hydroxyphenyl)-4H-chromen-4-one (3d) | US9271...) Show SMILES Oc1ccccc1-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H10O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-9,16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150766 (2-(Thiophen-2-yl)-4H-chromen-4-one (3r)) Show SMILES O=c1cc(oc2ccccc12)-c1cccs1 Show InChI InChI=1S/C13H8O2S/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-8H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM150761 (4-(4-Oxo-4H-chromen-2-yl)benzonitrile (3m)) Show SMILES O=c1cc(oc2ccccc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H9NO2/c17-10-11-5-7-12(8-6-11)16-9-14(18)13-3-1-2-4-15(13)19-16/h1-9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	8.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology					Assay Description The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...				Bioorg Chem 58: 72-80 (2015) Article DOI: 10.1016/j.bioorg.2014.11.008 BindingDB Entry DOI: 10.7270/Q2PG1QFJ
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2 (Virus))	BDBM152653 (4-(1,3-Dioxoisoindolin-2-yl)-N-(4-ethylphenyl)benz...) Show SMILES CCc1ccc(NS(=O)(=O)c2ccc(cc2)N2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C30H20Cl4N4S/c31-17-4-9-26-21(11-17)23(14-35-26)29(24-15-36-27-10-5-18(32)12-22(24)27)16-1-6-20(7-2-16)37-30(39)38-28-13-19(33)3-8-25(28)34/h1-15,29,35-36H,(H2,37,38,39)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.82E+4	n/a	n/a	n/a	n/a	8.5	n/a
Birla Institute of Technology					Assay Description To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz...				Bioorg Chem 62: 74-82 (2015) Article DOI: 10.1016/j.bioorg.2015.07.005 BindingDB Entry DOI: 10.7270/Q2VT1QTG
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2 (Virus))	BDBM152640 (4-(1,3-Dioxoisoindolin-2-yl)-N,N-diethyl benzenesu...) Show SMILES Brc1cccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C30H23BrN4S/c31-20-6-5-7-22(16-20)35-30(36)34-21-14-12-19(13-15-21)29(25-17-32-27-10-3-1-8-23(25)27)26-18-33-28-11-4-2-9-24(26)28/h1-18,29,32-33H,(H2,34,35,36)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.5	n/a
Birla Institute of Technology					Assay Description To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz...				Bioorg Chem 62: 74-82 (2015) Article DOI: 10.1016/j.bioorg.2015.07.005 BindingDB Entry DOI: 10.7270/Q2VT1QTG
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2 (Virus))	BDBM152640 (4-(1,3-Dioxoisoindolin-2-yl)-N,N-diethyl benzenesu...) Show SMILES Brc1cccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C30H23BrN4S/c31-20-6-5-7-22(16-20)35-30(36)34-21-14-12-19(13-15-21)29(25-17-32-27-10-3-1-8-23(25)27)26-18-33-28-11-4-2-9-24(26)28/h1-18,29,32-33H,(H2,34,35,36)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.5	n/a
Birla Institute of Technology					Assay Description To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz...				Bioorg Chem 62: 74-82 (2015) Article DOI: 10.1016/j.bioorg.2015.07.005 BindingDB Entry DOI: 10.7270/Q2VT1QTG
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2 (Virus))	BDBM152642 (2-(4-(Piperidin-1-ylsulphonyl)phenyl)isoindoline-1...) Show SMILES O=C1N(C(=O)c2ccccc12)c1ccc(cc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C30H23ClN4S/c31-20-6-5-7-22(16-20)35-30(36)34-21-14-12-19(13-15-21)29(25-17-32-27-10-3-1-8-23(25)27)26-18-33-28-11-4-2-9-24(26)28/h1-18,29,32-33H,(H2,34,35,36)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.5	n/a
Birla Institute of Technology					Assay Description To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz...				Bioorg Chem 62: 74-82 (2015) Article DOI: 10.1016/j.bioorg.2015.07.005 BindingDB Entry DOI: 10.7270/Q2VT1QTG
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2 (Virus))	BDBM152643 (2-(4-(4-Methylpiperazin-1-ylsulphonyl)phenyl)isoin...) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C30H23N5O2S/c36-35(37)22-15-13-21(14-16-22)34-30(38)33-20-11-9-19(10-12-20)29(25-17-31-27-7-3-1-5-23(25)27)26-18-32-28-8-4-2-6-24(26)28/h1-18,29,31-32H,(H2,33,34,38)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.5	n/a
Birla Institute of Technology					Assay Description To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz...				Bioorg Chem 62: 74-82 (2015) Article DOI: 10.1016/j.bioorg.2015.07.005 BindingDB Entry DOI: 10.7270/Q2VT1QTG
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2 (Virus))	BDBM152644 (4-(1,3-Dioxoisoindolin-2-yl)-N-phenylbenzenesulpho...) Show SMILES O=C1N(C(=O)c2ccccc12)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C30H22Br2N4S/c31-19-8-12-27-23(14-19)25(16-33-27)29(26-17-34-28-13-9-20(32)15-24(26)28)18-6-10-22(11-7-18)36-30(37)35-21-4-2-1-3-5-21/h1-17,29,33-34H,(H2,35,36,37)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.5	n/a
Birla Institute of Technology					Assay Description To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz...				Bioorg Chem 62: 74-82 (2015) Article DOI: 10.1016/j.bioorg.2015.07.005 BindingDB Entry DOI: 10.7270/Q2VT1QTG
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2 (Virus))	BDBM152645 (4-(1,3-Dioxoisoindolin-2-yl)-N-(2-hydroxyphenyl)be...) Show SMILES Oc1ccccc1NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C27H22Br2N4O2S/c1-2-35-27(34)33-26(36)32-18-7-3-15(4-8-18)25(21-13-30-23-9-5-16(28)11-19(21)23)22-14-31-24-10-6-17(29)12-20(22)24/h3-14,25,30-31H,2H2,1H3,(H2,32,33,34,36)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.5	n/a
Birla Institute of Technology					Assay Description To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz...				Bioorg Chem 62: 74-82 (2015) Article DOI: 10.1016/j.bioorg.2015.07.005 BindingDB Entry DOI: 10.7270/Q2VT1QTG
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2 (Virus))	BDBM152646 (4-(1,3-Dioxoisoindolin-2-yl)-N-(3-methoxyphenyl)be...) Show SMILES COc1cccc(NS(=O)(=O)c2ccc(cc2)N2C(=O)c3ccccc3C2=O)c1 Show InChI InChI=1S/C30H21Br3N4S/c31-18-2-1-3-22(12-18)37-30(38)36-21-8-4-17(5-9-21)29(25-15-34-27-10-6-19(32)13-23(25)27)26-16-35-28-11-7-20(33)14-24(26)28/h1-16,29,34-35H,(H2,36,37,38)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.5	n/a
Birla Institute of Technology					Assay Description To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz...				Bioorg Chem 62: 74-82 (2015) Article DOI: 10.1016/j.bioorg.2015.07.005 BindingDB Entry DOI: 10.7270/Q2VT1QTG
					More data for this Ligand-Target Pair

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