Found 14 hits of ki for UniProtKB: P28329 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50079267
(Congo Red | Direct red 28 | Kongorot | Sodium diph...)Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O Show InChI InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2/b37-35+,38-36+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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KEGG PC cid PC sid PDB UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50029031
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50029028
((cibacron blue,para isomer)1-Amino-4-{4-[4-chloro-...)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(cc4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-5-8-15(9-6-13)49(40,41)42)37-29(36-27)34-18-10-7-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-3-1-2-4-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50029031
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50029036
(1-Amino-4-{4-[4-hydroxy-6-(4-sulfo-phenylamino)-[1...)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Nc4ccc(cc4)S([O-])(=O)=O)nc(=O)[nH]3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C29H21N7O12S3/c30-24-21(51(46,47)48)12-19(22-23(24)26(38)17-4-2-1-3-16(17)25(22)37)31-14-7-10-18(20(11-14)50(43,44)45)33-28-34-27(35-29(39)36-28)32-13-5-8-15(9-6-13)49(40,41)42/h1-12,31H,30H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H3,32,33,34,35,36,39)/p-3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50029032
(CHEMBL3144208 | Methyldisulfanyl analogue of coenz...)Show SMILES CSSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H38N7O16P3S2/c1-22(2,17(32)20(33)25-5-4-13(30)24-6-7-50-49-3)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32H,4-9H2,1-3H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/p-3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50029026
(4,4'-Bis-phenylamino-[1,1']binaphthalenyl-5,5'-dis...)Show SMILES [O-]S(=O)(=O)c1cccc2c(ccc(Nc3ccccc3)c12)-c1ccc(Nc2ccccc2)c2c(cccc12)S([O-])(=O)=O Show InChI InChI=1S/C32H24N2O6S2/c35-41(36,37)29-15-7-13-25-23(17-19-27(31(25)29)33-21-9-3-1-4-10-21)24-18-20-28(34-22-11-5-2-6-12-22)32-26(24)14-8-16-30(32)42(38,39)40/h1-20,33-34H,(H,35,36,37)(H,38,39,40)/p-2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50029029
((tetraidofluorescein)2-(6-Hydroxy-2,4,5,7-tetraiod...)Show SMILES [O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12 |(6.44,.46,;5.34,-.59,;6.44,-1.53,;4.12,-.31,;4.1,1.23,;2.77,2,;1.43,1.21,;1.46,-.34,;2.79,-1.08,;2.79,-2.63,;4.12,-3.37,;5.46,-2.6,;6.81,-3.35,;8.14,-2.58,;6.81,-4.92,;8.17,-5.69,;5.48,-5.69,;5.5,-7.23,;4.15,-4.94,;2.81,-5.71,;1.46,-4.94,;.12,-5.71,;.12,-7.26,;-1.21,-4.94,;-2.54,-5.71,;-1.21,-3.4,;-2.54,-2.63,;.12,-2.63,;1.46,-3.4,)| Show InChI InChI=1S/C20H8I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)/p-2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50367033
(COENZYME_A)Show SMILES CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS |r| Show InChI InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50029033
(7-Phenylamino-naphthalene-1-sulfonic acid anion)Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)16-8-4-5-12-9-10-14(11-15(12)16)17-13-6-2-1-3-7-13/h1-11,17H,(H,18,19,20)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM60927
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PubMed
| 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50029039
(6-Phenylamino-naphthalene-2-sulfonic acid anion)Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h1-11,17H,(H,18,19,20)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 8.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50029027
(5-Phenylamino-naphthalene-1-sulfonic acid anion)Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)16-11-5-8-13-14(16)9-4-10-15(13)17-12-6-2-1-3-7-12/h1-11,17H,(H,18,19,20)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(Homo sapiens (Human)) | BDBM50029034
(1-naphthalenesulfonate | alpha-naphthalenesulfonat...)Show InChI InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia |
J Med Chem 24: 1534-7 (1982)
BindingDB Entry DOI: 10.7270/Q2T43TMK |
More data for this Ligand-Target Pair | |