Compile Data Set for Download or QSAR

Found 316 hits with Last Name = 'rash' and Initial = 'v'   

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))	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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Free fatty acid receptor 4 (Rattus norvegicus)	BDBM50044874 (CHEMBL3311302) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of rat FFA4 receptor expressed in U2OS cells				Bioorg Med Chem Lett 24: 3100-3 (2014) Article DOI: 10.1016/j.bmcl.2014.05.012 BindingDB Entry DOI: 10.7270/Q2CC1292
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Mus musculus)	BDBM50044874 (CHEMBL3311302) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of mouse FFA4 receptor expressed in U2OS cells				Bioorg Med Chem Lett 24: 3100-3 (2014) Article DOI: 10.1016/j.bmcl.2014.05.012 BindingDB Entry DOI: 10.7270/Q2CC1292
					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	30	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Free fatty acid receptor 4 (Homo sapiens (Human))	BDBM50044874 (CHEMBL3311302) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human FFA4 receptor expressed in U2OS cells				Bioorg Med Chem Lett 24: 3100-3 (2014) Article DOI: 10.1016/j.bmcl.2014.05.012 BindingDB Entry DOI: 10.7270/Q2CC1292
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50172756 (Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...) Show SMILES CN(CC#C)Cc1ccccc1 Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513325 (CHEMBL4514270) Show SMILES Nc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C22H17N3O2/c1-3-13-26-18-9-5-16(6-10-18)20-15-21(25-22(23)24-20)17-7-11-19(12-8-17)27-14-4-2/h1-2,5-12,15H,13-14H2,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513326 (CHEMBL4435127) Show SMILES Nc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C22H17N3O2/c1-3-12-26-18-10-8-16(9-11-18)20-15-21(25-22(23)24-20)17-6-5-7-19(14-17)27-13-4-2/h1-2,5-11,14-15H,12-13H2,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513326 (CHEMBL4435127) Show SMILES Nc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C22H17N3O2/c1-3-12-26-18-10-8-16(9-11-18)20-15-21(25-22(23)24-20)17-6-5-7-19(14-17)27-13-4-2/h1-2,5-11,14-15H,12-13H2,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513328 (CHEMBL4451426) Show SMILES Cc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H18N2O2/c1-4-14-26-20-10-6-18(7-11-20)22-16-23(25-17(3)24-22)19-8-12-21(13-9-19)27-15-5-2/h1-2,6-13,16H,14-15H2,3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513323 (CHEMBL4449439) Show SMILES Nc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C22H17N3O2/c1-3-13-26-17-11-9-16(10-12-17)19-15-20(25-22(23)24-19)18-7-5-6-8-21(18)27-14-4-2/h1-2,5-12,15H,13-14H2,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513335 (CHEMBL4446207) Show SMILES Cc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H18N2O2/c1-4-14-26-19-12-10-18(11-13-19)21-16-22(25-17(3)24-21)20-8-6-7-9-23(20)27-15-5-2/h1-2,6-13,16H,14-15H2,3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513325 (CHEMBL4514270) Show SMILES Nc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C22H17N3O2/c1-3-13-26-18-9-5-16(6-10-18)20-15-21(25-22(23)24-20)17-7-11-19(12-8-17)27-14-4-2/h1-2,5-12,15H,13-14H2,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513327 (CHEMBL4472217) Show SMILES C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1cccc(OCC#C)c1 Show InChI InChI=1S/C28H20N2O2/c1-3-17-31-24-15-13-21(14-16-24)26-20-27(23-11-8-12-25(19-23)32-18-4-2)30-28(29-26)22-9-6-5-7-10-22/h1-2,5-16,19-20H,17-18H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513332 (CHEMBL4454141) Show SMILES COc1cc(ccc1OCC#C)-c1cc(nc(N)n1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H19N3O3/c1-4-12-28-18-9-6-16(7-10-18)19-15-20(26-23(24)25-19)17-8-11-21(29-13-5-2)22(14-17)27-3/h1-2,6-11,14-15H,12-13H2,3H3,(H2,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513336 (CHEMBL4520073) Show SMILES Nc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccccc1OCC#C Show InChI InChI=1S/C22H17N3O2/c1-3-13-26-20-11-7-5-9-16(20)18-15-19(25-22(23)24-18)17-10-6-8-12-21(17)27-14-4-2/h1-2,5-12,15H,13-14H2,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513321 (CHEMBL4459207) Show SMILES Cc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H18N2O2/c1-4-13-26-20-11-9-18(10-12-20)22-16-23(25-17(3)24-22)19-7-6-8-21(15-19)27-14-5-2/h1-2,6-12,15-16H,13-14H2,3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513324 (CHEMBL4450296) Show SMILES COc1cc(ccc1OCC#C)-c1cc(nc(C)n1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C24H20N2O3/c1-5-13-28-20-10-7-18(8-11-20)21-16-22(26-17(3)25-21)19-9-12-23(29-14-6-2)24(15-19)27-4/h1-2,7-12,15-16H,13-14H2,3-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513339 (CHEMBL4455144) Show SMILES CCOc1cc(ccc1OCC#C)-c1cc(nc(C)n1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C25H22N2O3/c1-5-14-29-21-11-8-19(9-12-21)22-17-23(27-18(4)26-22)20-10-13-24(30-15-6-2)25(16-20)28-7-3/h1-2,8-13,16-17H,7,14-15H2,3-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513331 (CHEMBL4591817) Show SMILES C#CCOc1cccc(c1)-c1cc(nc(n1)-c1ccccc1)-c1cccc(OCC#C)c1 Show InChI InChI=1S/C28H20N2O2/c1-3-16-31-24-14-8-12-22(18-24)26-20-27(23-13-9-15-25(19-23)32-17-4-2)30-28(29-26)21-10-6-5-7-11-21/h1-2,5-15,18-20H,16-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513333 (CHEMBL4469654) Show SMILES CCOc1cc(ccc1OCC#C)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C30H24N2O3/c1-4-18-34-25-15-12-22(13-16-25)26-21-27(32-30(31-26)23-10-8-7-9-11-23)24-14-17-28(35-19-5-2)29(20-24)33-6-3/h1-2,7-17,20-21H,6,18-19H2,3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513330 (CHEMBL4455630) Show SMILES Nc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1cccc(OCC#C)c1 Show InChI InChI=1S/C22H17N3O2/c1-3-11-26-18-9-5-7-16(13-18)20-15-21(25-22(23)24-20)17-8-6-10-19(14-17)27-12-4-2/h1-2,5-10,13-15H,11-12H2,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513322 (CHEMBL4567714) Show SMILES COc1cc(ccc1OCC#C)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C29H22N2O3/c1-4-17-33-24-14-11-21(12-15-24)25-20-26(31-29(30-25)22-9-7-6-8-10-22)23-13-16-27(34-18-5-2)28(19-23)32-3/h1-2,6-16,19-20H,17-18H2,3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513337 (CHEMBL4456862) Show SMILES CCOc1cc(ccc1OCC#C)-c1cc(nc(N)n1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C24H21N3O3/c1-4-13-29-19-10-7-17(8-11-19)20-16-21(27-24(25)26-20)18-9-12-22(30-14-5-2)23(15-18)28-6-3/h1-2,7-12,15-16H,6,13-14H2,3H3,(H2,25,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513329 (CHEMBL4543829) Show SMILES C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccccc1OCC#C Show InChI InChI=1S/C28H20N2O2/c1-3-18-31-23-16-14-21(15-17-23)25-20-26(24-12-8-9-13-27(24)32-19-4-2)30-28(29-25)22-10-6-5-7-11-22/h1-2,5-17,20H,18-19H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513334 (CHEMBL4548899) Show SMILES C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C28H20N2O2/c1-3-18-31-24-14-10-21(11-15-24)26-20-27(22-12-16-25(17-13-22)32-19-4-2)30-28(29-26)23-8-6-5-7-9-23/h1-2,5-17,20H,18-19H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513328 (CHEMBL4451426) Show SMILES Cc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H18N2O2/c1-4-14-26-20-10-6-18(7-11-20)22-16-23(25-17(3)24-22)19-8-12-21(13-9-19)27-15-5-2/h1-2,6-13,16H,14-15H2,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513321 (CHEMBL4459207) Show SMILES Cc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H18N2O2/c1-4-13-26-20-11-9-18(10-12-20)22-16-23(25-17(3)24-22)19-7-6-8-21(15-19)27-14-5-2/h1-2,6-12,15-16H,13-14H2,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50513338 (CHEMBL4554961) Show SMILES C#CCOc1ccccc1-c1cc(nc(n1)-c1ccccc1)-c1ccccc1OCC#C Show InChI InChI=1S/C28H20N2O2/c1-3-18-31-26-16-10-8-14-22(26)24-20-25(23-15-9-11-17-27(23)32-19-4-2)30-28(29-24)21-12-6-5-7-13-21/h1-2,5-17,20H,18-19H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substr...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513339 (CHEMBL4455144) Show SMILES CCOc1cc(ccc1OCC#C)-c1cc(nc(C)n1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C25H22N2O3/c1-5-14-29-21-11-8-19(9-12-21)22-17-23(27-18(4)26-22)20-10-13-24(30-15-6-2)25(16-20)28-7-3/h1-2,8-13,16-17H,7,14-15H2,3-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513336 (CHEMBL4520073) Show SMILES Nc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccccc1OCC#C Show InChI InChI=1S/C22H17N3O2/c1-3-13-26-20-11-7-5-9-16(20)18-15-19(25-22(23)24-18)17-10-6-8-12-21(17)27-14-4-2/h1-2,5-12,15H,13-14H2,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513334 (CHEMBL4548899) Show SMILES C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C28H20N2O2/c1-3-18-31-24-14-10-21(11-15-24)26-20-27(22-12-16-25(17-13-22)32-19-4-2)30-28(29-26)23-8-6-5-7-9-23/h1-2,5-17,20H,18-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513338 (CHEMBL4554961) Show SMILES C#CCOc1ccccc1-c1cc(nc(n1)-c1ccccc1)-c1ccccc1OCC#C Show InChI InChI=1S/C28H20N2O2/c1-3-18-31-26-16-10-8-14-22(26)24-20-25(23-15-9-11-17-27(23)32-19-4-2)30-28(29-24)21-12-6-5-7-13-21/h1-2,5-17,20H,18-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513337 (CHEMBL4456862) Show SMILES CCOc1cc(ccc1OCC#C)-c1cc(nc(N)n1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C24H21N3O3/c1-4-13-29-19-10-7-17(8-11-19)20-16-21(27-24(25)26-20)18-9-12-22(30-14-5-2)23(15-18)28-6-3/h1-2,7-12,15-16H,6,13-14H2,3H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513329 (CHEMBL4543829) Show SMILES C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccccc1OCC#C Show InChI InChI=1S/C28H20N2O2/c1-3-18-31-23-16-14-21(15-17-23)25-20-26(24-12-8-9-13-27(24)32-19-4-2)30-28(29-25)22-10-6-5-7-11-22/h1-2,5-17,20H,18-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513322 (CHEMBL4567714) Show SMILES COc1cc(ccc1OCC#C)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C29H22N2O3/c1-4-17-33-24-14-11-21(12-15-24)25-20-26(31-29(30-25)22-9-7-6-8-10-22)23-13-16-27(34-18-5-2)28(19-23)32-3/h1-2,6-16,19-20H,17-18H2,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50044849 (CHEMBL3311308) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M2 receptor expressed in CHO cells assessed as intracellular calcium level by fluorescence/summary (Abse5) as...				Bioorg Med Chem Lett 24: 3100-3 (2014) Article DOI: 10.1016/j.bmcl.2014.05.012 BindingDB Entry DOI: 10.7270/Q2CC1292
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50044849 (CHEMBL3311308) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human CaV1.2 channel expressed in HEK293 cells by FLIPR/summary (Abse5) assay				Bioorg Med Chem Lett 24: 3100-3 (2014) Article DOI: 10.1016/j.bmcl.2014.05.012 BindingDB Entry DOI: 10.7270/Q2CC1292
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50044849 (CHEMBL3311308) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as intracellular calcium level by fluorescence/summary (Abse5) as...				Bioorg Med Chem Lett 24: 3100-3 (2014) Article DOI: 10.1016/j.bmcl.2014.05.012 BindingDB Entry DOI: 10.7270/Q2CC1292
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513327 (CHEMBL4472217) Show SMILES C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1cccc(OCC#C)c1 Show InChI InChI=1S/C28H20N2O2/c1-3-17-31-24-15-13-21(14-16-24)26-20-27(23-11-8-12-25(19-23)32-18-4-2)30-28(29-26)22-9-6-5-7-10-22/h1-2,5-16,19-20H,17-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513335 (CHEMBL4446207) Show SMILES Cc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H18N2O2/c1-4-14-26-19-12-10-18(11-13-19)21-16-22(25-17(3)24-21)20-8-6-7-9-23(20)27-15-5-2/h1-2,6-13,16H,14-15H2,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513332 (CHEMBL4454141) Show SMILES COc1cc(ccc1OCC#C)-c1cc(nc(N)n1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H19N3O3/c1-4-12-28-18-9-6-16(7-10-18)19-15-20(26-23(24)25-19)17-8-11-21(29-13-5-2)22(14-17)27-3/h1-2,6-11,14-15H,12-13H2,3H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513324 (CHEMBL4450296) Show SMILES COc1cc(ccc1OCC#C)-c1cc(nc(C)n1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C24H20N2O3/c1-5-13-28-20-10-7-18(8-11-20)21-16-22(26-17(3)25-21)19-9-12-23(29-14-6-2)24(15-19)27-4/h1-2,7-12,15-16H,13-14H2,3-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50513321 (CHEMBL4459207) Show SMILES Cc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H18N2O2/c1-4-13-26-20-11-9-18(10-12-20)22-16-23(25-17(3)24-22)19-7-6-8-21(15-19)27-14-5-2/h1-2,6-12,15-16H,13-14H2,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50513329 (CHEMBL4543829) Show SMILES C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccccc1OCC#C Show InChI InChI=1S/C28H20N2O2/c1-3-18-31-23-16-14-21(15-17-23)25-20-26(24-12-8-9-13-27(24)32-19-4-2)30-28(29-25)22-10-6-5-7-11-22/h1-2,5-17,20H,18-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513330 (CHEMBL4455630) Show SMILES Nc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1cccc(OCC#C)c1 Show InChI InChI=1S/C22H17N3O2/c1-3-11-26-18-9-5-7-16(13-18)20-15-21(25-22(23)24-20)17-8-6-10-19(14-17)27-12-4-2/h1-2,5-10,13-15H,11-12H2,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513323 (CHEMBL4449439) Show SMILES Nc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C22H17N3O2/c1-3-13-26-17-11-9-16(10-12-17)19-15-20(25-22(23)24-19)18-7-5-6-8-21(18)27-14-4-2/h1-2,5-12,15H,13-14H2,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50513335 (CHEMBL4446207) Show SMILES Cc1nc(cc(n1)-c1ccccc1OCC#C)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C23H18N2O2/c1-4-14-26-19-12-10-18(11-13-19)21-16-22(25-17(3)24-21)20-8-6-7-9-23(20)27-15-5-2/h1-2,6-13,16H,14-15H2,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50513331 (CHEMBL4591817) Show SMILES C#CCOc1cccc(c1)-c1cc(nc(n1)-c1ccccc1)-c1cccc(OCC#C)c1 Show InChI InChI=1S/C28H20N2O2/c1-3-16-31-24-14-8-12-22(18-24)26-20-27(23-13-9-15-25(19-23)32-17-4-2)30-28(29-26)21-10-6-5-7-11-21/h1-2,5-15,18-20H,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50513326 (CHEMBL4435127) Show SMILES Nc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C22H17N3O2/c1-3-12-26-18-10-8-16(9-11-18)20-15-21(25-22(23)24-20)17-6-5-7-19(14-17)27-13-4-2/h1-2,5-11,14-15H,12-13H2,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central University of Punjab Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 usi...				Eur J Med Chem 177: 221-234 (2019) Article DOI: 10.1016/j.ejmech.2019.05.039 BindingDB Entry DOI: 10.7270/Q2DV1P69
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 316 total )  |  Next  |  Last  >>

Jump to: