Found 21 hits Enz. Inhib. hit(s) with all data for entry = 5272 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 |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50001786
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) | PDB
Reactome pathway KEGG
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| DrugBank PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB
Reactome pathway KEGG
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
Reactome pathway KEGG
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50007692
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2 | PDB
Reactome pathway KEGG
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM82479
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE | USRE4934...)Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3 | PDB
Reactome pathway KEGG
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| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM22869
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3 | PDB
Reactome pathway KEGG
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM22871
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3 | PDB
Reactome pathway KEGG
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(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 | PDB
Reactome pathway KEGG
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
Reactome pathway KEGG
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50040241
(3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b...)Show InChI InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3 | PDB
Reactome pathway KEGG
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| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(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 | PDB
Reactome pathway KEGG
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| PubMed
| 122 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50130273
(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 | PDB
Reactome pathway KEGG
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| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM81770
(CAS_82650-83-7 | NSC_3086153 | TENILAPINE)Show SMILES CN1CCN(CC1)C1=Nc2cscc2C(=CC#N)c2cscc12 |w:15.17,t:8| Show InChI InChI=1S/C17H16N4S2/c1-20-4-6-21(7-5-20)17-15-10-22-8-13(15)12(2-3-18)14-9-23-11-16(14)19-17/h2,8-11H,4-7H2,1H3 | PDB
Reactome pathway KEGG
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| PC cid PC sid UniChem
| PubMed
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50131440
(10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulf...)Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
Reactome pathway KEGG
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| 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM79181
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 | PDB
Reactome pathway KEGG
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Similars
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| 378 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(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 | PDB
Reactome pathway KEGG
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| 579 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(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) | PDB
Reactome pathway KEGG
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| 874 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(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) | PDB
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| 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM78576
(CIS-THIOTHIXENE | MLS000028463 | SMR000058396 | TH...)Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1 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/b19-8- | PDB
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| 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50026066
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 | PDB
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| 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(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 | PDB
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| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this Ligand-Target Pair | |