Found 2794 hits with Last Name = 'wong' and Initial = 's' 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 |
|---|
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18793
(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)Show SMILES CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6| Show InChI InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21) | PDB
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| 0.0110 | -62.5 | 0.570 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Mahidol University
| Assay Description
The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc... |
Nat Struct Biol 10: 257-65 (2003)
Article DOI: 10.1038/nsb921
BindingDB Entry DOI: 10.7270/Q2HH6HBD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18793
(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)Show SMILES CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6| Show InChI InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21) | PDB
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| PDB
Article
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| 0.0200 | -61.1 | 2.30 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Mahidol University
| Assay Description
The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc... |
Nat Struct Biol 10: 257-65 (2003)
Article DOI: 10.1038/nsb921
BindingDB Entry DOI: 10.7270/Q2HH6HBD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
(Plasmodium vivax (malaria parasite P. vivax)) | BDBM18788
(6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL221...)Show InChI InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16) | PDB
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| 0.0300 | -60.1 | 1.82E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand
| Assay Description
Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... |
Antimicrob Agents Chemother 50: 3631-7 (2006)
Article DOI: 10.1128/AAC.00448-06
BindingDB Entry DOI: 10.7270/Q2N8781P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM86187
(CAS_22189-31-7 | NSC_5454 | THIOTHIXENE)Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19| Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3 | Reactome pathway
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant V1/S
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18793
(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)Show SMILES CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6| Show InChI InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21) | PDB
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| 0.0370 | -59.5 | 18 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Mahidol University
| Assay Description
The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc... |
Nat Struct Biol 10: 257-65 (2003)
Article DOI: 10.1038/nsb921
BindingDB Entry DOI: 10.7270/Q2HH6HBD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
TNF-alpha-Converting Enzyme
(Homo sapiens (Human)) | BDBM26526
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1 | PDB
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| 0.0600 | -57.8 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description
Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
Bioorg Med Chem Lett 19: 54-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.034
BindingDB Entry DOI: 10.7270/Q2JH3JH7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
(Plasmodium vivax (malaria parasite P. vivax)) | BDBM18788
(6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL221...)Show InChI InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16) | PDB
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| 0.0800 | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology at Thailand
| Assay Description
Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... |
Antimicrob Agents Chemother 50: 3631-7 (2006)
Article DOI: 10.1128/AAC.00448-06
BindingDB Entry DOI: 10.7270/Q2N8781P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM81486
(CAS_1050-79-9 | MOPERONE | NSC_4249)Show SMILES Cc1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3 | UniProtKB/SwissProt
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50252513
(3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1...)Show SMILES Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3 | UniProtKB/SwissProt
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM84734
(CAS_129029-23-8 | NSC_71351 | Ocaperidone)Show SMILES Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O Show InChI InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3 | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
TNF-alpha-Converting Enzyme
(Homo sapiens (Human)) | BDBM26524
((1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)met...)Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H24FN3O4/c29-22-12-17(14-28(27(30)34)15-21(28)26(33)32-35)10-11-25(22)36-16-19-13-24(18-6-2-1-3-7-18)31-23-9-5-4-8-20(19)23/h1-13,21,35H,14-16H2,(H2,30,34)(H,32,33)/t21-,28+/m1/s1 | PDB
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| 0.140 | -55.7 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description
Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
Bioorg Med Chem Lett 19: 54-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.034
BindingDB Entry DOI: 10.7270/Q2JH3JH7 |
More data for this
Ligand-Target Pair | |
TNF-alpha-Converting Enzyme
(Homo sapiens (Human)) | BDBM26525
((1S,2R)-1-N-hydroxy-2-({4-[(2-phenylquinolin-4-yl)...)Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1 | PDB
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| 0.180 | -55.1 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute
| Assay Description
Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... |
Bioorg Med Chem Lett 19: 54-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.034
BindingDB Entry DOI: 10.7270/Q2JH3JH7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
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| 0.200 | -55.4 | 80 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Mahidol University
| Assay Description
The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc... |
Nat Struct Biol 10: 257-65 (2003)
Article DOI: 10.1038/nsb921
BindingDB Entry DOI: 10.7270/Q2HH6HBD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50334150
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) | UniProtKB/SwissProt
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM22872
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3 | UniProtKB/SwissProt
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM86722
(CAS_53772-82-0 | CAS_53772-85-3 | FLUPENTHIXOL, Al...)Show SMILES OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2 | Reactome pathway
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM78433
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2 | Reactome pathway
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM26948
(8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...)Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35) | Reactome pathway
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM26948
(8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...)Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35) | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | UniProtKB/SwissProt
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM22872
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3 | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM78434
(2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]p...)Show InChI InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3 | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM81484
(BROMPERIDOL | Bromoperidol | CAS_2448 | NSC_2448)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | UniProtKB/SwissProt
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM86723
(CAS_14759-06-9 | NSC_31765 | sulforidazine)Show SMILES CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)(=O)=O Show InChI InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | UniProtKB/SwissProt
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM86187
(CAS_22189-31-7 | NSC_5454 | THIOTHIXENE)Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19| Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3 | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM81493
(CAS_749-13-3 | TRIFLUORPERIDOL)Show SMILES OC1(CCN(CC1)C(F)CCC(=O)c1ccccc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO2/c23-20(10-9-19(28)16-5-2-1-3-6-16)27-13-11-21(29,12-14-27)17-7-4-8-18(15-17)22(24,25)26/h1-8,15,20,29H,9-14H2 | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
(Plasmodium vivax (malaria parasite P. vivax)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
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| 0.210 | -55.2 | 180 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand
| Assay Description
Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... |
Antimicrob Agents Chemother 50: 3631-7 (2006)
Article DOI: 10.1128/AAC.00448-06
BindingDB Entry DOI: 10.7270/Q2N8781P |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18792
(1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16) | PDB
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Article
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| 0.300 | -54.4 | 37 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Mahidol University
| Assay Description
The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc... |
Nat Struct Biol 10: 257-65 (2003)
Article DOI: 10.1038/nsb921
BindingDB Entry DOI: 10.7270/Q2HH6HBD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50334150
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) | UniProtKB/SwissProt
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM86721
(BUTACLAMOL | CAS_51152-91-1 | NSC_37459)Show SMILES CC(C)(C)C1(O)CCN2CC3c4ccccc4CCc4cccc(C2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3 | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM86723
(CAS_14759-06-9 | NSC_31765 | sulforidazine)Show SMILES CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)(=O)=O Show InChI InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | Reactome pathway
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ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50002012
((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...)Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2 | Reactome pathway
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50110753
(5-(3-ethoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)py...)Show SMILES CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C23H28N4O5/c1-5-31-18-9-14(8-16-12-26-23(25)27-22(16)24)6-7-17(18)32-13-15-10-19(28-2)21(30-4)20(11-15)29-3/h6-7,9-12H,5,8,13H2,1-4H3,(H4,24,25,26,27) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description
Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR) |
J Med Chem 47: 345-54 (2004)
Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18778
(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)Show InChI InChI=1S/C15H17ClN4O2/c1-22-12(21)4-2-3-11-13(14(17)20-15(18)19-11)9-5-7-10(16)8-6-9/h5-8H,2-4H2,1H3,(H4,17,18,19,20) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t
BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138952
(1-(3-Chloro-phenyl)-6-heptyl-1,6-dihydro-[1,3,5]tr...)Show SMILES CCCCCCCC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:8,11| Show InChI InChI=1S/C16H24ClN5/c1-2-3-4-5-6-10-14-20-15(18)21-16(19)22(14)13-9-7-8-12(17)11-13/h7-9,11,14H,2-6,10H2,1H3,(H4,18,19,20,21) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t
BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50138945
(1-(3-Chloro-phenyl)-6-(4-phenoxy-phenyl)-1,6-dihyd...)Show SMILES NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |c:6,t:1| Show InChI InChI=1S/C21H18ClN5O/c22-15-5-4-6-16(13-15)27-19(25-20(23)26-21(27)24)14-9-11-18(12-10-14)28-17-7-2-1-3-8-17/h1-13,19H,(H4,23,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t
BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18790
(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)Show InChI InChI=1S/C16H22N4/c1-2-3-4-8-11-13-14(12-9-6-5-7-10-12)15(17)20-16(18)19-13/h5-7,9-10H,2-4,8,11H2,1H3,(H4,17,18,19,20) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t
BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18790
(6-hexyl-5-phenylpyrimidine-2,4-diamine | CHEMBL416...)Show InChI InChI=1S/C16H22N4/c1-2-3-4-8-11-13-14(12-9-6-5-7-10-12)15(17)20-16(18)19-13/h5-7,9-10H,2-4,8,11H2,1H3,(H4,17,18,19,20) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of the wild-type dihydrofolate reductase (DHFR) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18781
(5-(4-bromophenyl)-6-ethylpyrimidine-2,4-diamine | ...)Show InChI InChI=1S/C12H13BrN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of the wild-type dihydrofolate reductase (DHFR) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM50110753
(5-(3-ethoxy-4-(3,4,5-trimethoxybenzyloxy)benzyl)py...)Show SMILES CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C23H28N4O5/c1-5-31-18-9-14(8-16-12-26-23(25)27-22(16)24)6-7-17(18)32-13-15-10-19(28-2)21(30-4)20(11-15)29-3/h6-7,9-12H,5,8,13H2,1-4H3,(H4,24,25,26,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of the wild-type dihydrofolate reductase (DHFR) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18778
(CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chl...)Show InChI InChI=1S/C15H17ClN4O2/c1-22-12(21)4-2-3-11-13(14(17)20-15(18)19-11)9-5-7-10(16)8-6-9/h5-8H,2-4H2,1H3,(H4,17,18,19,20) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of the wild-type dihydrofolate reductase (DHFR) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM86187
(CAS_22189-31-7 | NSC_5454 | THIOTHIXENE)Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19| Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3 | UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
(Plasmodium vivax (malaria parasite P. vivax)) | BDBM18784
(5-(3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.310 | -54.3 | 360 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand
| Assay Description
Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... |
Antimicrob Agents Chemother 50: 3631-7 (2006)
Article DOI: 10.1128/AAC.00448-06
BindingDB Entry DOI: 10.7270/Q2N8781P |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
(Plasmodium vivax (malaria parasite P. vivax)) | BDBM18779
(6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine |...)Show InChI InChI=1S/C13H16N4/c1-3-10-11(12(14)17-13(15)16-10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H4,14,15,16,17) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.390 | -53.7 | 140 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand
| Assay Description
Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... |
Antimicrob Agents Chemother 50: 3631-7 (2006)
Article DOI: 10.1128/AAC.00448-06
BindingDB Entry DOI: 10.7270/Q2N8781P |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Dopamine receptors; D2 & D4
(Homo sapiens (Human)) | BDBM22872
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3 | Reactome pathway
KEGG
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ACADIA Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 315: 1278-87 (2005)
Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18787
(5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]py...)Show SMILES Nc1nc(N)c(c(CCOCCCOc2ccccc2)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN4O2/c22-16-7-4-6-15(14-16)19-18(25-21(24)26-20(19)23)10-13-27-11-5-12-28-17-8-2-1-3-9-17/h1-4,6-9,14H,5,10-13H2,(H4,23,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of the wild-type dihydrofolate reductase (DHFR) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this
Ligand-Target Pair | |
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