Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'bhakat' and Initial = 's'   

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
Genome polyprotein (West Nile virus)	BDBM50030459 (CHEMBL3344321) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CC[C@@H](CC1)NC(N)=N |r,wU:34.38,9.9,wD:31.31,5.4,(16.97,-13.05,;16.9,-11.52,;15.54,-10.81,;15.47,-9.27,;14.11,-8.56,;14.04,-7.02,;12.68,-6.3,;11.38,-7.13,;11.44,-8.67,;10.01,-6.42,;9.94,-4.88,;11.24,-4.05,;11.18,-2.52,;12.48,-1.69,;12.42,-.15,;8.71,-7.24,;7.38,-6.48,;7.37,-4.94,;6.05,-7.25,;4.72,-6.48,;4.71,-4.94,;3.38,-4.17,;2.05,-4.94,;.72,-4.17,;2.05,-6.48,;.72,-7.25,;3.38,-7.25,;15.34,-6.19,;15.28,-4.65,;16.7,-6.9,;18.02,-6.09,;19.38,-6.82,;19.42,-8.36,;20.78,-9.09,;22.1,-8.27,;22.05,-6.73,;20.68,-6,;23.46,-9,;24.77,-8.18,;24.72,-6.65,;26.13,-8.91,)| Show InChI InChI=1S/C28H46Cl2N8O3/c29-21-12-9-19(15-22(21)30)16-25(39)37-24(6-2-4-14-32)27(41)38-23(5-1-3-13-31)26(40)35-17-18-7-10-20(11-8-18)36-28(33)34/h9,12,15,18,20,23-24H,1-8,10-11,13-14,16-17,31-32H2,(H,35,40)(H,37,39)(H,38,41)(H4,33,34,36)/t18-,20-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of West Nile virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					More data for this Ligand-Target Pair				3D Structure (crystal)
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] 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))	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] 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
Genome polyprotein (West Nile virus)	BDBM50030461 (CHEMBL3344320) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)N[C@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC2=O)C(C)C |r| Show InChI InChI=1S/C65H85N11O13/c1-38(2)32-49-60(84)74-52(36-42-20-12-7-13-21-42)65(89)76-31-15-23-53(76)63(87)73-51(34-41-18-10-6-11-19-41)61(85)70-47(33-40-16-8-5-9-17-40)57(81)48(37-54(67)78)71-59(83)46(28-29-55(79)80)68-50(35-43-24-26-44(77)27-25-43)62(86)75-56(39(3)4)64(88)69-45(22-14-30-66)58(82)72-49/h5-13,16-21,24-27,38-39,45-53,56,68,77H,14-15,22-23,28-37,66H2,1-4H3,(H2,67,78)(H,69,88)(H,70,85)(H,71,83)(H,72,82)(H,73,87)(H,74,84)(H,75,86)(H,79,80)/t45-,46+,47+,48-,49+,50+,51-,52+,53-,56-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of West Nile virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50030466 (CHEMBL3361439) Show SMILES NC(=[NH2+])Nc1ccc(OC(=O)c2ccc(NC(N)=[NH2+])cc2)cc1 Show InChI InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)/p+2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of dengue virus-2 NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					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
Genome polyprotein (Dengue virus 2)	BDBM50030468 (CHEMBL3344306) Show SMILES Cc1cccc(C)c1-n1c2nc(SCc3cc(=O)n4cc(Cl)ccc4n3)n(-c3c(C)cccc3C)c(=O)c2sc1=S |(32.55,-8.78,;33.58,-9.93,;33.1,-11.39,;34.13,-12.54,;35.64,-12.21,;36.11,-10.75,;37.62,-10.43,;35.09,-9.61,;35.56,-8.15,;37.03,-7.67,;38.36,-8.44,;39.7,-7.67,;41.03,-8.44,;41.04,-9.98,;42.37,-10.75,;42.36,-12.28,;43.7,-13.05,;43.7,-14.59,;45.03,-12.28,;46.37,-13.04,;47.71,-12.26,;49.04,-13.03,;47.69,-10.71,;46.35,-9.95,;45.02,-10.73,;43.69,-9.97,;39.69,-6.12,;41.02,-5.35,;41.01,-3.82,;39.67,-3.05,;42.33,-3.04,;43.68,-3.8,;43.68,-5.34,;42.35,-6.12,;42.36,-7.66,;38.36,-5.36,;38.35,-3.82,;37.03,-6.13,;35.57,-5.66,;34.66,-6.9,;33.12,-6.9,)| Show InChI InChI=1S/C30H24ClN5O2S3/c1-16-7-5-8-17(2)24(16)35-27-26(41-30(35)39)28(38)36(25-18(3)9-6-10-19(25)4)29(33-27)40-15-21-13-23(37)34-14-20(31)11-12-22(34)32-21/h5-14H,15H2,1-4H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of dengue virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					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
Genome polyprotein (Dengue virus 2)	BDBM50030473 (CHEMBL3344304) Show SMILES CCN(CC)CCn1c(NC(=O)c2ccc(Cn3nc(C#N)c(Cl)c3C)o2)nc2ccccc12 Show InChI InChI=1S/C24H26ClN7O2/c1-4-30(5-2)12-13-31-20-9-7-6-8-18(20)27-24(31)28-23(33)21-11-10-17(34-21)15-32-16(3)22(25)19(14-26)29-32/h6-11H,4-5,12-13,15H2,1-3H3,(H,27,28,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of dengue virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50030464 (CHEMBL3344310) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H37N7O5S/c35-25(14-20-16-37-26-7-3-1-5-23(20)26)32(44)40-29(13-19-9-11-22(42)12-10-19)33(45)41-30(18-47)34(46)39-28(31(36)43)15-21-17-38-27-8-4-2-6-24(21)27/h1-12,16-17,25,28-30,37-38,42,47H,13-15,18,35H2,(H2,36,43)(H,39,46)(H,40,44)(H,41,45)/t25-,28-,29-,30-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of dengue virus-1 NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					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
Genome polyprotein (Dengue virus 2)	BDBM50030464 (CHEMBL3344310) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H37N7O5S/c35-25(14-20-16-37-26-7-3-1-5-23(20)26)32(44)40-29(13-19-9-11-22(42)12-10-19)33(45)41-30(18-47)34(46)39-28(31(36)43)15-21-17-38-27-8-4-2-6-24(21)27/h1-12,16-17,25,28-30,37-38,42,47H,13-15,18,35H2,(H2,36,43)(H,39,46)(H,40,44)(H,41,45)/t25-,28-,29-,30-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG 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
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of dengue virus-2 NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50030471 (CHEMBL3344305) Show SMILES CC(=O)N1N=C(OC1c1ccc(cc1)C(O)=O)c1cc(nc2ccccc12)-c1ccccc1 |c:4| Show InChI InChI=1S/C26H19N3O4/c1-16(30)29-25(18-11-13-19(14-12-18)26(31)32)33-24(28-29)21-15-23(17-7-3-2-4-8-17)27-22-10-6-5-9-20(21)22/h2-15,25H,1H3,(H,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of dengue virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
					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

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