Found 104 hits with Last Name = 'kurys' and Initial = 'be' 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 |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10972
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50231956
((Z)-8-bromo-4-methyl-3-(methylimino)-1,2,3,4-tetra...)Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 |w:1.0| Show InChI InChI=1S/C16H18BrN3O2/c1-18-10-6-5-9-13-11(20(4)15(9)10)7-8-12(14(13)17)22-16(21)19(2)3/h7-8H,5-6H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50342601
(CHEMBL1255901 | Huperzine A)Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50288976
(CHEMBL155350 | Methyl-carbamic acid 8-chloro-3-[(Z...)Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21 |w:2.1| Show InChI InChI=1S/C16H18ClN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288977
(CHEMBL160836 | Methyl-carbamic acid 8-bromo-3-[(Z)...)Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21 |w:2.1| Show InChI InChI=1S/C16H18BrN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288981
(CHEMBL160219 | Methyl-carbamic acid 4-methyl-3-[(Z...)Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NCCc1ccccc1 |w:18.21| Show InChI InChI=1S/C22H23N3O2/c1-23-22(26)27-16-8-11-20-18(14-16)17-9-10-19(21(17)25(20)2)24-13-12-15-6-4-3-5-7-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288976
(CHEMBL155350 | Methyl-carbamic acid 8-chloro-3-[(Z...)Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Cl)c21 |w:2.1| Show InChI InChI=1S/C16H18ClN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50288969
(4-(7-Bromo-5-methoxy-benzofuran-2-yl)-piperidine |...)Show InChI InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| Article
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288966
(CHEMBL156861 | Methyl-carbamic acid 8-bromo-4-meth...)Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:19.22| Show InChI InChI=1S/C15H16BrN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50288977
(CHEMBL160836 | Methyl-carbamic acid 8-bromo-3-[(Z)...)Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)c(Br)c21 |w:2.1| Show InChI InChI=1S/C16H18BrN3O2/c1-4-19-10-6-5-9-13-11(20(3)15(9)10)7-8-12(14(13)17)22-16(21)18-2/h7-8H,4-6H2,1-3H3,(H,18,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288975
(CHEMBL445916 | Methyl-carbamic acid 8-bromo-3-[(Z)...)Show SMILES CCCn1c2C(CCc2c2c(Br)c(OC(=O)NC)ccc12)=NCC |w:21.24| Show InChI InChI=1S/C18H22BrN3O2/c1-4-10-22-13-8-9-14(24-18(23)20-3)16(19)15(13)11-6-7-12(17(11)22)21-5-2/h8-9H,4-7,10H2,1-3H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288979
(CHEMBL155754 | Methyl-carbamic acid 8-chloro-4-met...)Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Cl)=NC |w:19.22| Show InChI InChI=1S/C15H16ClN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033519
(5-[2-(4-Hydroxy-phenyl)-ethylamino]-1-(3-methyl-bu...)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(-[#8])cc3)-c2ccc1=O Show InChI InChI=1S/C22H28N2O2/c1-16(2)13-15-24-21-5-3-4-20(19(21)10-11-22(24)26)23-14-12-17-6-8-18(25)9-7-17/h6-11,13,20,23,25H,3-5,12,14-15H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033527
(5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)c(Cl)c3)-c2ccc1=O Show InChI InChI=1S/C22H26Cl2N2O/c1-15(2)11-13-26-21-5-3-4-20(17(21)7-9-22(26)27)25-12-10-16-6-8-18(23)19(24)14-16/h6-9,11,14,20,25H,3-5,10,12-13H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033491
(5-[2-(2-Chloro-phenyl)-ethylamino]-1-(3-methyl-but...)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccccc3Cl)-c2ccc1=O Show InChI InChI=1S/C22H27ClN2O/c1-16(2)13-15-25-21-9-5-8-20(18(21)10-11-22(25)26)24-14-12-17-6-3-4-7-19(17)23/h3-4,6-7,10-11,13,20,24H,5,8-9,12,14-15H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033521
(5-[2-(3-Chloro-phenyl)-ethylamino]-1-(3-methyl-but...)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3cccc(Cl)c3)-c2ccc1=O Show InChI InChI=1S/C22H27ClN2O/c1-16(2)12-14-25-21-8-4-7-20(19(21)9-10-22(25)26)24-13-11-17-5-3-6-18(23)15-17/h3,5-6,9-10,12,15,20,24H,4,7-8,11,13-14H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50231956
((Z)-8-bromo-4-methyl-3-(methylimino)-1,2,3,4-tetra...)Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 |w:1.0| Show InChI InChI=1S/C16H18BrN3O2/c1-18-10-6-5-9-13-11(20(4)15(9)10)7-8-12(14(13)17)22-16(21)19(2)3/h7-8H,5-6H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM10404
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50288966
(CHEMBL156861 | Methyl-carbamic acid 8-bromo-4-meth...)Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:19.22| Show InChI InChI=1S/C15H16BrN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288973
(CHEMBL157182 | Methyl-carbamic acid 6-chloro-4-met...)Show SMILES CNC(=O)Oc1cc2c3CCC(=NC)c3n(C)c2cc1Cl |w:12.12| Show InChI InChI=1S/C15H16ClN3O2/c1-17-11-5-4-8-9-6-13(21-15(20)18-2)10(16)7-12(9)19(3)14(8)11/h6-7H,4-5H2,1-3H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50288967
(Butyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methyl...)Show SMILES CCCCNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:22.25| Show InChI InChI=1S/C18H22BrN3O2/c1-4-5-10-21-18(23)24-14-9-8-13-15(16(14)19)11-6-7-12(20-2)17(11)22(13)3/h8-9H,4-7,10H2,1-3H3,(H,21,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033495
(5-[2-(4-Chloro-3-trifluoromethyl-phenyl)-ethylamin...)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)c(c3)C(F)(F)F)-c2ccc1=O Show InChI InChI=1S/C23H26ClF3N2O/c1-15(2)11-13-29-21-5-3-4-20(17(21)7-9-22(29)30)28-12-10-16-6-8-19(24)18(14-16)23(25,26)27/h6-9,11,14,20,28H,3-5,10,12-13H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033496
(5-[2-(2,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)cc3Cl)-c2ccc1=O Show InChI InChI=1S/C22H26Cl2N2O/c1-15(2)11-13-26-21-5-3-4-20(18(21)8-9-22(26)27)25-12-10-16-6-7-17(23)14-19(16)24/h6-9,11,14,20,25H,3-5,10,12-13H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033512
(5-[2-(3,5-Dichloro-phenyl)-ethylamino]-1-(3-methyl...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3cc(Cl)cc(Cl)c3)-c2ccc1=O Show InChI InChI=1S/C22H26Cl2N2O/c1-15(2)9-11-26-21-5-3-4-20(19(21)6-7-22(26)27)25-10-8-16-12-17(23)14-18(24)13-16/h6-7,9,12-14,20,25H,3-5,8,10-11H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50288970
(CHEMBL346766 | Methyl-[4-methyl-1,4-dihydro-2H-cyc...)Show InChI InChI=1S/C13H14N2/c1-14-11-8-7-10-9-5-3-4-6-12(9)15(2)13(10)11/h3-6H,7-8H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033510
(5-[2-(3,4-Difluoro-phenyl)-ethylamino]-1-(3-methyl...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(F)c(F)c3)-c2ccc1=O Show InChI InChI=1S/C22H26F2N2O/c1-15(2)11-13-26-21-5-3-4-20(17(21)7-9-22(26)27)25-12-10-16-6-8-18(23)19(24)14-16/h6-9,11,14,20,25H,3-5,10,12-13H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033492
(5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-propyl-5,...)Show InChI InChI=1S/C20H24Cl2N2O/c1-2-12-24-19-5-3-4-18(15(19)7-9-20(24)25)23-11-10-14-6-8-16(21)17(22)13-14/h6-9,13,18,23H,2-5,10-12H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033511
(5-[2-(3-Methoxy-phenyl)-ethylamino]-1-(3-methyl-bu...)Show SMILES [#6]-[#8]-c1cccc(-[#6]-[#6]-[#7]-[#6]-2-[#6]-[#6]-[#6]-c3c-2ccc(=O)n3-[#6]\[#6]=[#6](/[#6])-[#6])c1 Show InChI InChI=1S/C23H30N2O2/c1-17(2)13-15-25-22-9-5-8-21(20(22)10-11-23(25)26)24-14-12-18-6-4-7-19(16-18)27-3/h4,6-7,10-11,13,16,21,24H,5,8-9,12,14-15H2,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033507
(5-[2-(2,5-Dichloro-phenyl)-ethylamino]-1-(3-methyl...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3cc(Cl)ccc3Cl)-c2ccc1=O Show InChI InChI=1S/C22H26Cl2N2O/c1-15(2)11-13-26-21-5-3-4-20(18(21)7-9-22(26)27)25-12-10-16-14-17(23)6-8-19(16)24/h6-9,11,14,20,25H,3-5,10,12-13H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50288979
(CHEMBL155754 | Methyl-carbamic acid 8-chloro-4-met...)Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Cl)=NC |w:19.22| Show InChI InChI=1S/C15H16ClN3O2/c1-17-9-5-4-8-12-10(19(3)14(8)9)6-7-11(13(12)16)21-15(20)18-2/h6-7H,4-5H2,1-3H3,(H,18,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50288971
(CHEMBL156919 | [4-Methyl-1,4-dihydro-2H-cyclopenta...)Show InChI InChI=1S/C15H18N2/c1-3-10-16-13-9-8-12-11-6-4-5-7-14(11)17(2)15(12)13/h4-7H,3,8-10H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033523
(5-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-1-(3-methy...)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-[#6]-2-[#6]-[#6]-[#6]-c3c-2ccc(=O)n3-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]-[#6] Show InChI InChI=1S/C24H32N2O3/c1-17(2)13-15-26-21-7-5-6-20(19(21)9-11-24(26)27)25-14-12-18-8-10-22(28-3)23(16-18)29-4/h8-11,13,16,20,25H,5-7,12,14-15H2,1-4H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50288965
(CHEMBL347197 | Ethyl-[4-methyl-1,4-dihydro-2H-cycl...)Show InChI InChI=1S/C14H16N2/c1-3-15-12-9-8-11-10-6-4-5-7-13(10)16(2)14(11)12/h4-7H,3,8-9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033494
(5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl...)Show SMILES CC(C)CCn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O Show InChI InChI=1S/C22H28Cl2N2O/c1-15(2)11-13-26-21-5-3-4-20(17(21)7-9-22(26)27)25-12-10-16-6-8-18(23)19(24)14-16/h6-9,14-15,20,25H,3-5,10-13H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM50033527
(5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)c(Cl)c3)-c2ccc1=O Show InChI InChI=1S/C22H26Cl2N2O/c1-15(2)11-13-26-21-5-3-4-20(17(21)7-9-22(26)27)25-12-10-16-6-8-18(23)19(24)14-16/h6-9,11,14,20,25H,3-5,10,12-13H2,1-2H3 | Reactome pathway KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description The compound was tested for Butyrylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033508
(5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-methyl-5,...)Show InChI InChI=1S/C18H20Cl2N2O/c1-22-17-4-2-3-16(13(17)6-8-18(22)23)21-10-9-12-5-7-14(19)15(20)11-12/h5-8,11,16,21H,2-4,9-10H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033509
(5-Phenethylamino-1-propyl-5,6,7,8-tetrahydro-1H-qu...)Show InChI InChI=1S/C20H26N2O/c1-2-15-22-19-10-6-9-18(17(19)11-12-20(22)23)21-14-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,18,21H,2,6,9-10,13-15H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033522
(5-[2-(1H-Indol-3-yl)-ethylamino]-1-propyl-5,6,7,8-...)Show InChI InChI=1S/C22H27N3O/c1-2-14-25-21-9-5-8-20(18(21)10-11-22(25)26)23-13-12-16-15-24-19-7-4-3-6-17(16)19/h3-4,6-7,10-11,15,20,23-24H,2,5,8-9,12-14H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288967
(Butyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methyl...)Show SMILES CCCCNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1Br)=NC |w:22.25| Show InChI InChI=1S/C18H22BrN3O2/c1-4-5-10-21-18(23)24-14-9-8-13-15(16(14)19)11-6-7-12(20-2)17(11)22(13)3/h8-9H,4-7,10H2,1-3H3,(H,21,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 3.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288968
(CHEMBL156931 | Methyl-carbamic acid 4-methyl-3-[(Z...)Show SMILES CNC(=O)Oc1ccc2n(C)c3C(CCc3c2c1)=NC |w:18.21| Show InChI InChI=1S/C15H17N3O2/c1-16-12-6-5-10-11-8-9(20-15(19)17-2)4-7-13(11)18(3)14(10)12/h4,7-8H,5-6H2,1-3H3,(H,17,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 3.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033500
(5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-hexyl-5,6...)Show SMILES CCCCCCn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O Show InChI InChI=1S/C23H30Cl2N2O/c1-2-3-4-5-15-27-22-8-6-7-21(18(22)10-12-23(27)28)26-14-13-17-9-11-19(24)20(25)16-17/h9-12,16,21,26H,2-8,13-15H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50288972
(CHEMBL350464 | Methyl-carbamic acid 3-[(Z)-ethylim...)Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21 |w:2.1| Show InChI InChI=1S/C16H19N3O2/c1-4-18-13-7-6-11-12-9-10(21-16(20)17-2)5-8-14(12)19(3)15(11)13/h5,8-9H,4,6-7H2,1-3H3,(H,17,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 3.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288974
(CHEMBL155863 | Methyl-carbamic acid 4-methyl-3-[(Z...)Show SMILES CCCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21 |w:3.2| Show InChI InChI=1S/C17H21N3O2/c1-4-9-19-14-7-6-12-13-10-11(22-17(21)18-2)5-8-15(13)20(3)16(12)14/h5,8,10H,4,6-7,9H2,1-3H3,(H,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 3.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033505
(5-(Indan-2-ylamino)-1-propyl-5,6,7,8-tetrahydro-1H...)Show InChI InChI=1S/C21H26N2O/c1-2-12-23-20-9-5-8-19(18(20)10-11-21(23)24)22-17-13-15-6-3-4-7-16(15)14-17/h3-4,6-7,10-11,17,19,22H,2,5,8-9,12-14H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288982
(Benzyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methy...)Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21 |w:1.0| Show InChI InChI=1S/C21H20BrN3O2/c1-23-15-9-8-14-18-16(25(2)20(14)15)10-11-17(19(18)22)27-21(26)24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 4.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033517
(1-Propyl-5-(2-pyridin-2-yl-ethylamino)-5,6,7,8-tet...)Show InChI InChI=1S/C19H25N3O/c1-2-14-22-18-8-5-7-17(16(18)9-10-19(22)23)21-13-11-15-6-3-4-12-20-15/h3-4,6,9-10,12,17,21H,2,5,7-8,11,13-14H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50033516
(5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(2-methyl...)Show SMILES CC(=C)Cn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O Show InChI InChI=1S/C21H24Cl2N2O/c1-14(2)13-25-20-5-3-4-19(16(20)7-9-21(25)26)24-11-10-15-6-8-17(22)18(23)12-15/h6-9,12,19,24H,1,3-5,10-11,13H2,2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50288982
(Benzyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methy...)Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21 |w:1.0| Show InChI InChI=1S/C21H20BrN3O2/c1-23-15-9-8-14-18-16(25(2)20(14)15)10-11-17(19(18)22)27-21(26)24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 5.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of monoamine oxidase-A(MAO-A). |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50288972
(CHEMBL350464 | Methyl-carbamic acid 3-[(Z)-ethylim...)Show SMILES CCN=C1CCc2c1n(C)c1ccc(OC(=O)NC)cc21 |w:2.1| Show InChI InChI=1S/C16H19N3O2/c1-4-18-13-7-6-11-12-9-10(21-16(20)17-2)5-8-14(12)19(3)15(11)13/h5,8-9H,4,6-7H2,1-3H3,(H,17,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 5.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase. |
Bioorg Med Chem Lett 6: 625-630 (1996)
Article DOI: 10.1016/0960-894X(96)00072-8 BindingDB Entry DOI: 10.7270/Q22J6BVC |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50369050
(CHEMBL1743676)Show InChI InChI=1S/C18H24N2OS/c1-2-12-20-17-7-3-6-16(15(17)8-9-18(20)21)19-11-10-14-5-4-13-22-14/h4-5,8-9,13,16,19H,2-3,6-7,10-12H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Acetylcholinesterase inhibitory activity in rat striatal homogenates |
J Med Chem 38: 3645-51 (1995)
BindingDB Entry DOI: 10.7270/Q2X34Z3G |
More data for this Ligand-Target Pair | |