Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'joubert' and Initial = 'j'   

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))	BDBM50259594 (CHEMBL4068321) Show SMILES Brc1ccc(COc2ccc3ccc(=O)oc3c2)cc1 Show InChI InChI=1S/C16H11BrO3/c17-13-5-1-11(2-6-13)10-19-14-7-3-12-4-8-16(18)20-15(12)9-14/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Stimulation of [35S]GTPcS binding against recombinant human opioid receptor mu 1				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259630 (CHEMBL4079843) Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 Show InChI InChI=1S/C17H12BrClO3/c1-10-14-7-6-13(8-15(14)22-17(20)16(10)19)21-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259595 (CHEMBL4097867) Show SMILES Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 Show InChI InChI=1S/C17H13BrO3/c1-11-8-17(19)21-16-9-14(6-7-15(11)16)20-10-12-2-4-13(18)5-3-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259597 (CHEMBL4105601) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 Show InChI InChI=1S/C18H12BrNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Binding affinity against cathepsin B				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259593 (CHEMBL4095676) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C18H13NO3/c1-12-15-8-7-14(21-11-13-5-3-2-4-6-13)9-17(15)22-18(20)16(12)10-19/h2-9H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of [3H]U-69593 binding to recombinant human Opioid receptor kappa 1				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM76662 (4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...) Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Stimulation of [35S]GTPcS binding against recombinant human opioid receptor delta 1				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259629 (CHEMBL4094745) Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C17H13ClO3/c1-11-14-8-7-13(9-15(14)21-17(19)16(11)18)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259631 (CHEMBL4082300) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12 Show InChI InChI=1S/C18H12FNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Binding affinity against cathepsin B				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50378564 (CHEMBL145781) Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1 Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of [3H]DPDPE binding to recombinant human Opioid receptor delta 1				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					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	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of [3H]U-69593 binding to recombinant human Opioid receptor kappa 1				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					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	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B using kynuramine as substrate after 20 mins by fluorescence assay				Eur J Med Chem 163: 83-94 (2019) Article DOI: 10.1016/j.ejmech.2018.11.051 BindingDB Entry DOI: 10.7270/Q2WS8XHJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A using kynuramine as substrate after 20 mins by fluorescence assay				Eur J Med Chem 163: 83-94 (2019) Article DOI: 10.1016/j.ejmech.2018.11.051 BindingDB Entry DOI: 10.7270/Q2WS8XHJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259604 (CHEMBL4060398) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C18H12ClNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Stimulation of [35S]GTPcS binding against recombinant human opioid receptor mu 1				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259606 (CHEMBL4069084) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3Br)ccc12 Show InChI InChI=1S/C18H11Br2NO3/c1-10-14-5-4-13(7-17(14)24-18(22)15(10)8-21)23-9-11-2-3-12(19)6-16(11)20/h2-7H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of [3H]U-69593 binding to recombinant human Opioid receptor kappa 1				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of human BuchE				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127075 BindingDB Entry DOI: 10.7270/Q22V2KQ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50259597 (CHEMBL4105601) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 Show InChI InChI=1S/C18H12BrNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50259595 (CHEMBL4097867) Show SMILES Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 Show InChI InChI=1S/C17H13BrO3/c1-11-8-17(19)21-16-9-14(6-7-15(11)16)20-10-12-2-4-13(18)5-3-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259605 (CHEMBL4090150) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12 Show InChI InChI=1S/C18H12BrNO3/c1-11-14-7-6-13(8-17(14)23-18(21)15(11)9-20)22-10-12-4-2-3-5-16(12)19/h2-8H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50545328 (CHEMBL4640608) Show SMILES COc1cc(ccc1OCc1ccc(F)cc1)C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 |c:29,t:20| Show InChI InChI=1S/C27H26FNO4/c1-32-24-14-17(10-13-23(24)33-15-16-8-11-18(28)12-9-16)25-26-19(4-2-6-21(26)30)29-20-5-3-7-22(31)27(20)25/h8-14,25,29H,2-7,15H2,1H3	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	98	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of human BuchE				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127075 BindingDB Entry DOI: 10.7270/Q22V2KQ2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of human AchE				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127075 BindingDB Entry DOI: 10.7270/Q22V2KQ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259603 (CHEMBL4087723) Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 Show InChI InChI=1S/C17H10BrF3O3/c18-11-3-1-10(2-4-11)9-23-12-5-6-13-14(17(19,20)21)8-16(22)24-15(13)7-12/h1-8H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of nNOS in Sprague-Dawley rat brain homogenates assessed as conversion of oxyhemoglobin to methemoglobin measured for 10 mins by UV-visibl...				Bioorg Med Chem 19: 3935-44 (2011) Article DOI: 10.1016/j.bmc.2011.05.034 BindingDB Entry DOI: 10.7270/Q2H132CH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of equine BuchE using butyrylthiocholine as substrate by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127075 BindingDB Entry DOI: 10.7270/Q22V2KQ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of electric eel AchE using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127075 BindingDB Entry DOI: 10.7270/Q22V2KQ2
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50545325 (CHEMBL4173961) Show SMILES Fc1cccc(COc2ccc(cc2Br)C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1 |c:26,t:17| Show InChI InChI=1S/C26H23BrFNO3/c27-18-13-16(10-11-23(18)32-14-15-4-1-5-17(28)12-15)24-25-19(6-2-8-21(25)30)29-20-7-3-9-22(31)26(20)24/h1,4-5,10-13,24,29H,2-3,6-9,14H2	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	142	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of human BuchE				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127075 BindingDB Entry DOI: 10.7270/Q22V2KQ2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50259594 (CHEMBL4068321) Show SMILES Brc1ccc(COc2ccc3ccc(=O)oc3c2)cc1 Show InChI InChI=1S/C16H11BrO3/c17-13-5-1-11(2-6-13)10-19-14-7-3-12-4-8-16(18)20-15(12)9-14/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50545328 (CHEMBL4640608) Show SMILES COc1cc(ccc1OCc1ccc(F)cc1)C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 |c:29,t:20| Show InChI InChI=1S/C27H26FNO4/c1-32-24-14-17(10-13-23(24)33-15-16-8-11-18(28)12-9-16)25-26-19(4-2-6-21(26)30)29-20-5-3-7-22(31)27(20)25/h8-14,25,29H,2-7,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of equine BuchE using butyrylthiocholine as substrate by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127075 BindingDB Entry DOI: 10.7270/Q22V2KQ2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259633 (CHEMBL4067432) Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12 Show InChI InChI=1S/C24H26ClNO3/c1-17-21-8-7-20(16-22(21)29-24(27)23(17)25)28-14-13-26-11-9-19(10-12-26)15-18-5-3-2-4-6-18/h2-8,16,19H,9-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of [3H]DPDPE binding to recombinant human Opioid receptor delta 1				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259624 (CHEMBL4088674) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12 Show InChI InChI=1S/C25H26N2O3/c1-18-22-8-7-21(16-24(22)30-25(28)23(18)17-26)29-14-13-27-11-9-20(10-12-27)15-19-5-3-2-4-6-19/h2-8,16,20H,9-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Stimulation of [35S]GTPcS binding against recombinant human opioid receptor kappa 1				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50259630 (CHEMBL4079843) Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 Show InChI InChI=1S/C17H12BrClO3/c1-10-14-7-6-13(8-15(14)22-17(20)16(10)19)21-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50545325 (CHEMBL4173961) Show SMILES Fc1cccc(COc2ccc(cc2Br)C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1 |c:26,t:17| Show InChI InChI=1S/C26H23BrFNO3/c27-18-13-16(10-11-23(18)32-14-15-4-1-5-17(28)12-15)24-25-19(6-2-8-21(25)30)29-20-7-3-9-22(31)26(20)24/h1,4-5,10-13,24,29H,2-3,6-9,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of equine BuchE using butyrylthiocholine as substrate by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127075 BindingDB Entry DOI: 10.7270/Q22V2KQ2
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50347287 (CHEMBL1796278) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:26:17:24:20.21.22,THB:26:21:24:18.17.25,25:17:20:24.23.22,25:23:20:26.18.17,16:17:24:20.21.22| Show InChI InChI=1S/C22H28N2O2S/c1-24(2)20-7-3-6-19-18(20)5-4-8-21(19)27(25,26)23-22-12-15-9-16(13-22)11-17(10-15)14-22/h3-8,15-17,23H,9-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of nNOS in Sprague-Dawley rat brain homogenates assessed as conversion of oxyhemoglobin to methemoglobin measured for 10 mins by UV-visibl...				Bioorg Med Chem 19: 3935-44 (2011) Article DOI: 10.1016/j.bmc.2011.05.034 BindingDB Entry DOI: 10.7270/Q2H132CH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259622 (CHEMBL4078343) Show SMILES O=c1ccc2ccc(OCCN3CCC(Cc4ccccc4)CC3)cc2o1 Show InChI InChI=1S/C23H25NO3/c25-23-9-7-20-6-8-21(17-22(20)27-23)26-15-14-24-12-10-19(11-13-24)16-18-4-2-1-3-5-18/h1-9,17,19H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259623 (CHEMBL4096387) Show SMILES Cc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12 Show InChI InChI=1S/C24H27NO3/c1-18-15-24(26)28-23-17-21(7-8-22(18)23)27-14-13-25-11-9-20(10-12-25)16-19-5-3-2-4-6-19/h2-8,15,17,20H,9-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Stimulation of [35S]GTPcS binding against recombinant human opioid receptor mu 1				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50259631 (CHEMBL4082300) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12 Show InChI InChI=1S/C18H12FNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50545326 (CHEMBL4648589) Show SMILES Brc1cc(ccc1OCc1ccccc1)C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 |c:27,t:18| Show InChI InChI=1S/C26H24BrNO3/c27-18-14-17(12-13-23(18)31-15-16-6-2-1-3-7-16)24-25-19(8-4-10-21(25)29)28-20-9-5-11-22(30)26(20)24/h1-3,6-7,12-14,24,28H,4-5,8-11,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	633	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of equine BuchE using butyrylthiocholine as substrate by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127075 BindingDB Entry DOI: 10.7270/Q22V2KQ2
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50259606 (CHEMBL4069084) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3Br)ccc12 Show InChI InChI=1S/C18H11Br2NO3/c1-10-14-5-4-13(7-17(14)24-18(22)15(10)8-21)23-9-11-2-3-12(19)6-16(11)20/h2-7H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50545329 (CHEMBL4636114) Show SMILES CCOc1cc(ccc1OCc1ccccc1)C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 |c:29,t:20| Show InChI InChI=1S/C28H29NO4/c1-2-32-25-16-19(14-15-24(25)33-17-18-8-4-3-5-9-18)26-27-20(10-6-12-22(27)30)29-21-11-7-13-23(31)28(21)26/h3-5,8-9,14-16,26,29H,2,6-7,10-13,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	752	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of equine BuchE using butyrylthiocholine as substrate by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127075 BindingDB Entry DOI: 10.7270/Q22V2KQ2
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50347286 (CHEMBL1796134) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2oc1=O |TLB:12:3:10:6.7.8,THB:12:7:10:4.3.11,11:3:6:10.9.8,11:9:6:12.4.3,2:3:10:6.7.8| Show InChI InChI=1S/C20H21NO3/c22-18(16-8-15-3-1-2-4-17(15)24-19(16)23)21-20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of nNOS in Sprague-Dawley rat brain homogenates assessed as conversion of oxyhemoglobin to methemoglobin measured for 10 mins by UV-visibl...				Bioorg Med Chem 19: 3935-44 (2011) Article DOI: 10.1016/j.bmc.2011.05.034 BindingDB Entry DOI: 10.7270/Q2H132CH
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50545323 (CHEMBL4649753) Show SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(C)cc1)C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 |c:31,t:22| Show InChI InChI=1S/C27H27NO6S/c1-16-9-12-18(13-10-16)35(31,32)34-23-14-11-17(15-24(23)33-2)25-26-19(5-3-7-21(26)29)28-20-6-4-8-22(30)27(20)25/h9-15,25,28H,3-8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	959	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of equine BuchE using butyrylthiocholine as substrate by Ellman's method				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127075 BindingDB Entry DOI: 10.7270/Q22V2KQ2
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50259629 (CHEMBL4094745) Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C17H13ClO3/c1-11-14-8-7-13(9-15(14)21-17(19)16(11)18)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50259604 (CHEMBL4060398) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C18H12ClNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50259633 (CHEMBL4067432) Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12 Show InChI InChI=1S/C24H26ClNO3/c1-17-21-8-7-20(16-22(21)29-24(27)23(17)25)28-14-13-26-11-9-19(10-12-26)15-18-5-3-2-4-6-18/h2-8,16,19H,9-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50259593 (CHEMBL4095676) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C18H13NO3/c1-12-15-8-7-14(21-11-13-5-3-2-4-6-13)9-17(15)22-18(20)16(12)10-19/h2-9H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259628 (CHEMBL4089608) Show SMILES Cc1c(C#N)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12 Show InChI InChI=1S/C24H24BrN3O3/c1-17-21-7-6-20(14-23(21)31-24(29)22(17)15-26)30-13-12-27-8-10-28(11-9-27)16-18-2-4-19(25)5-3-18/h2-7,14H,8-13,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Stimulation of [35S]GTPcS binding against recombinant human opioid receptor kappa 1				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50259627 (CHEMBL4104128) Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12 Show InChI InChI=1S/C23H24BrClN2O3/c1-16-20-7-6-19(14-21(20)30-23(28)22(16)25)29-13-12-26-8-10-27(11-9-26)15-17-2-4-18(24)5-3-17/h2-7,14H,8-13,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Western Cape Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...				Eur J Med Chem 125: 853-864 (2017) Article DOI: 10.1016/j.ejmech.2016.09.041 BindingDB Entry DOI: 10.7270/Q2BP057T
					More data for this Ligand-Target Pair

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