Found 61 hits with Last Name = 'brufani' and Initial = 'm' 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
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50069245
(CHEMBL157336 | N-[12-(Adamantan-1-ylamino)-dodecyl...)Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:33:24:31:28.27.29,THB:33:28:24.25.32:31,23:24:31:28.27.29,29:28:25:30.32.31,29:30:25:28.33.27| Show InChI InChI=1S/C32H53N3O/c1-35(2)30-15-13-26(14-16-30)22-31(36)33-17-11-9-7-5-3-4-6-8-10-12-18-34-32-23-27-19-28(24-32)21-29(20-27)25-32/h13-16,27-29,34H,3-12,17-25H2,1-2H3,(H,33,36) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brain |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50069248
(CHEMBL421974 | N-[11-(Adamantan-1-ylamino)-undecyl...)Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:32:23:30:27.26.28,THB:32:27:23.24.31:30,22:23:30:27.26.28,28:27:24:29.31.30,28:29:24:27.32.26| Show InChI InChI=1S/C31H51N3O/c1-34(2)29-14-12-25(13-15-29)21-30(35)32-16-10-8-6-4-3-5-7-9-11-17-33-31-22-26-18-27(23-31)20-28(19-26)24-31/h12-15,26-28,33H,3-11,16-24H2,1-2H3,(H,32,35) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50069243
(CHEMBL153934 | N-[10-(Adamantan-1-ylamino)-decyl]-...)Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:31:22:29:26.25.27,THB:31:26:22.23.30:29,21:22:29:26.25.27,27:26:23:28.30.29,27:28:23:26.31.25| Show InChI InChI=1S/C30H49N3O/c1-33(2)28-13-11-24(12-14-28)20-29(34)31-15-9-7-5-3-4-6-8-10-16-32-30-21-25-17-26(22-30)19-27(18-25)23-30/h11-14,25-27,32H,3-10,15-23H2,1-2H3,(H,31,34) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50069247
(CHEMBL157429 | N-[9-(Adamantan-1-ylamino)-nonyl]-2...)Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:30:21:28:25.24.26,THB:30:25:21.22.29:28,20:21:28:25.24.26,26:25:22:27.29.28,26:27:22:25.30.24| Show InChI InChI=1S/C29H47N3O/c1-32(2)27-12-10-23(11-13-27)19-28(33)30-14-8-6-4-3-5-7-9-15-31-29-20-24-16-25(21-29)18-26(17-24)22-29/h10-13,24-26,31H,3-9,14-22H2,1-2H3,(H,30,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50069244
(CHEMBL357551 | N-[8-(Adamantan-1-ylamino)-octyl]-2...)Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:29:24:20.21.28:27,19:20:27:24.23.25,25:24:21:26.28.27,25:26:21:24.29.23| Show InChI InChI=1S/C28H45N3O/c1-31(2)26-11-9-22(10-12-26)18-27(32)29-13-7-5-3-4-6-8-14-30-28-19-23-15-24(20-28)17-25(16-23)21-28/h9-12,23-25,30H,3-8,13-21H2,1-2H3,(H,29,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50069246
(CHEMBL152361 | N-[7-(Adamantan-1-ylamino)-heptyl]-...)Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:28:19:26:23.22.24,THB:28:23:19.20.27:26,18:19:26:23.22.24,24:23:20:25.27.26,24:25:20:23.28.22| Show InChI InChI=1S/C27H43N3O/c1-30(2)25-10-8-21(9-11-25)17-26(31)28-12-6-4-3-5-7-13-29-27-18-22-14-23(19-27)16-24(15-22)20-27/h8-11,22-24,29H,3-7,12-20H2,1-2H3,(H,28,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brain |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in human erythrocytes |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Bos taurus (bovine)) | 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase in Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in electric eel |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50004000
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Acetylcholinesterase(AChE) from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50285179
((11-Morpholin-4-yl-undecyl)-carbamic acid (3aS,8aR...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NCCCCCCCCCCCN3CCOCC3)cc21 Show InChI InChI=1S/C29H48N4O3/c1-29-15-18-31(2)27(29)32(3)26-14-13-24(23-25(26)29)36-28(34)30-16-11-9-7-5-4-6-8-10-12-17-33-19-21-35-22-20-33/h13-14,23,27H,4-12,15-22H2,1-3H3,(H,30,34)/t27-,29+/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Acetylcholinesterase(AChE) from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50285184
((10-Morpholin-4-yl-decyl)-carbamic acid (3aS,8aR)-...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NCCCCCCCCCCN3CCOCC3)cc21 Show InChI InChI=1S/C28H46N4O3/c1-28-14-17-30(2)26(28)31(3)25-13-12-23(22-24(25)28)35-27(33)29-15-10-8-6-4-5-7-9-11-16-32-18-20-34-21-19-32/h12-13,22,26H,4-11,14-21H2,1-3H3,(H,29,33)/t26-,28+/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Acetylcholinesterase(AChE) from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50004000
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50004000
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in electric eel |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50004000
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50285188
((9-Morpholin-4-yl-nonyl)-carbamic acid (3aS,8aR)-1...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NCCCCCCCCCN3CCOCC3)cc21 Show InChI InChI=1S/C27H44N4O3/c1-27-13-16-29(2)25(27)30(3)24-12-11-22(21-23(24)27)34-26(32)28-14-9-7-5-4-6-8-10-15-31-17-19-33-20-18-31/h11-12,21,25H,4-10,13-20H2,1-3H3,(H,28,32)/t25-,27+/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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Acetylcholinesterase(AChE) from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50285180
((12-Morpholin-4-yl-dodecyl)-carbamic acid (3aS,8aR...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NCCCCCCCCCCCCN3CCOCC3)cc21 Show InChI InChI=1S/C30H50N4O3/c1-30-16-19-32(2)28(30)33(3)27-15-14-25(24-26(27)30)37-29(35)31-17-12-10-8-6-4-5-7-9-11-13-18-34-20-22-36-23-21-34/h14-15,24,28H,4-13,16-23H2,1-3H3,(H,31,35)/t28-,30+/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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Acetylcholinesterase(AChE) from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50285182
((8-Morpholin-4-yl-octyl)-carbamic acid (3aS,8aR)-1...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NCCCCCCCCN3CCOCC3)cc21 Show InChI InChI=1S/C26H42N4O3/c1-26-12-15-28(2)24(26)29(3)23-11-10-21(20-22(23)26)33-25(31)27-13-8-6-4-5-7-9-14-30-16-18-32-19-17-30/h10-11,20,24H,4-9,12-19H2,1-3H3,(H,27,31)/t24-,26+/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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Acetylcholinesterase(AChE) from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50004000
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase in Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50004000
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brain |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229834
(CHEMBL328270)Show InChI InChI=1S/C9H14N4O5S2/c1-18-7(15)5-3-2-4-6(14)11-8-12-13-9(19-8)20(10,16)17/h2-5H2,1H3,(H2,10,16,17)(H,11,12,14) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Acetylcholinesterase(AChE) from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229838
(CHEMBL88183)Show InChI InChI=1S/C12H20N4O5S2/c1-3-4-5-8-21-10(18)7-6-9(17)14-11-16(2)15-12(22-11)23(13,19)20/h3-8H2,1-2H3,(H2,13,19,20)/b14-11+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229841
(CHEMBL420799)Show InChI InChI=1S/C10H16N4O5S2/c1-3-6(2)19-8(16)5-4-7(15)12-9-13-14-10(20-9)21(11,17)18/h6H,3-5H2,1-2H3,(H2,11,17,18)(H,12,13,15) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50285185
((7-Morpholin-4-yl-heptyl)-carbamic acid (3aS,8aR)-...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NCCCCCCCN3CCOCC3)cc21 Show InChI InChI=1S/C25H40N4O3/c1-25-11-14-27(2)23(25)28(3)22-10-9-20(19-21(22)25)32-24(30)26-12-7-5-4-6-8-13-29-15-17-31-18-16-29/h9-10,19,23H,4-8,11-18H2,1-3H3,(H,26,30)/t23-,25+/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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Acetylcholinesterase(AChE) from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229842
(CHEMBL90119)Show InChI InChI=1S/C11H18N4O5S2/c1-2-3-4-7-20-9(17)6-5-8(16)13-10-14-15-11(21-10)22(12,18)19/h2-7H2,1H3,(H2,12,18,19)(H,13,14,16) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50212309
(CHEMBL91302)Show InChI InChI=1S/C7H13N5O3S2/c8-4-2-1-3-5(13)10-6-11-12-7(16-6)17(9,14)15/h1-4,8H2,(H2,9,14,15)(H,10,11,13) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229847
(CHEMBL91512)Show InChI InChI=1S/C8H12N4O5S2/c1-12-7(18-8(11-12)19(9,15)16)10-5(13)3-4-6(14)17-2/h3-4H2,1-2H3,(H2,9,15,16)/b10-7+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229846
(CHEMBL264307)Show InChI InChI=1S/C11H18N4O5S2/c12-22(19,20)11-15-14-10(21-11)13-8(16)6-4-2-1-3-5-7-9(17)18/h1-7H2,(H,17,18)(H2,12,19,20)(H,13,14,16) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229839
(CHEMBL91622)Show SMILES CCCCCCCCCCCCOC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C18H32N4O5S2/c1-2-3-4-5-6-7-8-9-10-11-14-27-16(24)13-12-15(23)20-17-21-22-18(28-17)29(19,25)26/h2-14H2,1H3,(H2,19,25,26)(H,20,21,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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 |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229835
(CHEMBL90857)Show InChI InChI=1S/C8H12N4O5S2/c9-19(16,17)8-12-11-7(18-8)10-5(13)3-1-2-4-6(14)15/h1-4H2,(H,14,15)(H2,9,16,17)(H,10,11,13) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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 |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229845
(CHEMBL91517)Show InChI InChI=1S/C7H10N4O5S2/c8-18(15,16)7-11-10-6(17-7)9-4(12)2-1-3-5(13)14/h1-3H2,(H,13,14)(H2,8,15,16)(H,9,10,12) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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 |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50185303
(CHEMBL88115)Show InChI InChI=1S/C6H8N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H2,(H,12,13)(H2,7,14,15)(H,8,9,11) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229836
(CHEMBL92500)Show InChI InChI=1S/C7H10N4O5S2/c1-16-5(13)3-2-4(12)9-6-10-11-7(17-6)18(8,14)15/h2-3H2,1H3,(H2,8,14,15)(H,9,10,12) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50285183
((2-Morpholin-4-yl-ethyl)-carbamic acid (3aS,8aR)-1...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NCCN3CCOCC3)cc21 Show InChI InChI=1S/C20H30N4O3/c1-20-6-8-22(2)18(20)23(3)17-5-4-15(14-16(17)20)27-19(25)21-7-9-24-10-12-26-13-11-24/h4-5,14,18H,6-13H2,1-3H3,(H,21,25)/t18-,20+/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 | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Acetylcholinesterase from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229843
(CHEMBL91131)Show InChI InChI=1S/C8H12N4O5S2/c1-2-17-6(14)4-3-5(13)10-7-11-12-8(18-7)19(9,15)16/h2-4H2,1H3,(H2,9,15,16)(H,10,11,13) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229844
(CHEMBL328566)Show InChI InChI=1S/C12H20N4O5S2/c1-21-10(18)8-6-4-2-3-5-7-9(17)14-11-15-16-12(22-11)23(13,19)20/h2-8H2,1H3,(H2,13,19,20)(H,14,15,17) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229837
(CHEMBL89489)Show InChI InChI=1S/C8H12N4O5S2/c1-17-6(14)4-2-3-5(13)10-7-11-12-8(18-7)19(9,15)16/h2-4H2,1H3,(H2,9,15,16)(H,10,11,13) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50285178
((6-Morpholin-4-yl-hexyl)-carbamic acid (3aS,8aR)-1...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NCCCCCCN3CCOCC3)cc21 Show InChI InChI=1S/C24H38N4O3/c1-24-10-13-26(2)22(24)27(3)21-9-8-19(18-20(21)24)31-23(29)25-11-6-4-5-7-12-28-14-16-30-17-15-28/h8-9,18,22H,4-7,10-17H2,1-3H3,(H,25,29)/t22-,24+/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 | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Acetylcholinesterase(AChE) from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50229840
(CHEMBL329625)Show InChI InChI=1S/C6H8N4O5S2/c1-15-4(12)2-3(11)8-5-9-10-6(16-5)17(7,13)14/h2H2,1H3,(H2,7,13,14)(H,8,9,11) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Chimico Internazionale Dr. G. Rende
Curated by ChEMBL
| Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits |
J Med Chem 35: 2697-703 (1992)
BindingDB Entry DOI: 10.7270/Q2K076G9 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50069245
(CHEMBL157336 | N-[12-(Adamantan-1-ylamino)-dodecyl...)Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:33:24:31:28.27.29,THB:33:28:24.25.32:31,23:24:31:28.27.29,29:28:25:30.32.31,29:30:25:28.33.27| Show InChI InChI=1S/C32H53N3O/c1-35(2)30-15-13-26(14-16-30)22-31(36)33-17-11-9-7-5-3-4-6-8-10-12-18-34-32-23-27-19-28(24-32)21-29(20-27)25-32/h13-16,27-29,34H,3-12,17-25H2,1-2H3,(H,33,36) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50285186
((3-Morpholin-4-yl-propyl)-carbamic acid (3aS,8aR)-...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NCCCN3CCOCC3)cc21 Show InChI InChI=1S/C21H32N4O3/c1-21-7-10-23(2)19(21)24(3)18-6-5-16(15-17(18)21)28-20(26)22-8-4-9-25-11-13-27-14-12-25/h5-6,15,19H,4,7-14H2,1-3H3,(H,22,26)/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 | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Acetylcholinesterase(AChE) from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50069243
(CHEMBL153934 | N-[10-(Adamantan-1-ylamino)-decyl]-...)Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:31:22:29:26.25.27,THB:31:26:22.23.30:29,21:22:29:26.25.27,27:26:23:28.30.29,27:28:23:26.31.25| Show InChI InChI=1S/C30H49N3O/c1-33(2)28-13-11-24(12-14-28)20-29(34)31-15-9-7-5-3-4-6-8-10-16-32-30-21-25-17-26(22-30)19-27(18-25)23-30/h11-14,25-27,32H,3-10,15-23H2,1-2H3,(H,31,34) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine erythrocytes |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50285181
((5-Morpholin-4-yl-pentyl)-carbamic acid (3aS,8aR)-...)Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NCCCCCN3CCOCC3)cc21 Show InChI InChI=1S/C23H36N4O3/c1-23-9-12-25(2)21(23)26(3)20-8-7-18(17-19(20)23)30-22(28)24-10-5-4-6-11-27-13-15-29-16-14-27/h7-8,17,21H,4-6,9-16H2,1-3H3,(H,24,28)/t21-,23+/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 | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Acetylcholinesterase(AChE) from human RBC |
Bioorg Med Chem Lett 5: 2077-2080 (1995)
Article DOI: 10.1016/0960-894X(95)00371-Y BindingDB Entry DOI: 10.7270/Q2NP24CR |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50069245
(CHEMBL157336 | N-[12-(Adamantan-1-ylamino)-dodecyl...)Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:33:24:31:28.27.29,THB:33:28:24.25.32:31,23:24:31:28.27.29,29:28:25:30.32.31,29:30:25:28.33.27| Show InChI InChI=1S/C32H53N3O/c1-35(2)30-15-13-26(14-16-30)22-31(36)33-17-11-9-7-5-3-4-6-8-10-12-18-34-32-23-27-19-28(24-32)21-29(20-27)25-32/h13-16,27-29,34H,3-12,17-25H2,1-2H3,(H,33,36) | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in electric eel |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50069244
(CHEMBL357551 | N-[8-(Adamantan-1-ylamino)-octyl]-2...)Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:29:24:20.21.28:27,19:20:27:24.23.25,25:24:21:26.28.27,25:26:21:24.29.23| Show InChI InChI=1S/C28H45N3O/c1-31(2)26-11-9-22(10-12-26)18-27(32)29-13-7-5-3-4-6-8-14-30-28-19-23-15-24(20-28)17-25(16-23)21-28/h9-12,23-25,30H,3-8,13-21H2,1-2H3,(H,29,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50069243
(CHEMBL153934 | N-[10-(Adamantan-1-ylamino)-decyl]-...)Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:31:22:29:26.25.27,THB:31:26:22.23.30:29,21:22:29:26.25.27,27:26:23:28.30.29,27:28:23:26.31.25| Show InChI InChI=1S/C30H49N3O/c1-33(2)28-13-11-24(12-14-28)20-29(34)31-15-9-7-5-3-4-6-8-10-16-32-30-21-25-17-26(22-30)19-27(18-25)23-30/h11-14,25-27,32H,3-10,15-23H2,1-2H3,(H,31,34) | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase in electric eel |
Bioorg Med Chem Lett 8: 575-80 (1999)
BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair | |