Found 190 hits with Last Name = 'weissman' and Initial = 'a' 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 |
|---|
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50370403
(CHEMBL177829)Show SMILES O=C1NC(C(=O)N1CCCCCN1CCC(CC1)c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35N3O2/c35-29-31(27-15-7-2-8-16-27,28-17-9-3-10-18-28)32-30(36)34(29)22-12-4-11-21-33-23-19-26(20-24-33)25-13-5-1-6-14-25/h1-3,5-10,13-18,26H,4,11-12,19-24H2,(H,32,36) | PDB
UniProtKB/SwissProt
antibodypedia
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to Sigma opioid receptor type 1 in guinea pig brain homogenate with 0.5 nM of [3H](+)-PENT as radioligand |
J Med Chem 24: 496-9 (1981)
BindingDB Entry DOI: 10.7270/Q2K64JTV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50370403
(CHEMBL177829)Show SMILES O=C1NC(C(=O)N1CCCCCN1CCC(CC1)c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35N3O2/c35-29-31(27-15-7-2-8-16-27,28-17-9-3-10-18-28)32-30(36)34(29)22-12-4-11-21-33-23-19-26(20-24-33)25-13-5-1-6-14-25/h1-3,5-10,13-18,26H,4,11-12,19-24H2,(H,32,36) | PDB
UniProtKB/SwissProt
antibodypedia
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to Sigma opioid receptor type 2 in guinea pig brain homogenate with 4 nM of [3H](+)-DTG as radioligand |
J Med Chem 24: 496-9 (1981)
BindingDB Entry DOI: 10.7270/Q2K64JTV |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | UniProtKB/TrEMBL
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50015720
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3 | PDB
Reactome pathway
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | UniProtKB/TrEMBL
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM82219
(CAS_52760-47-1 | CHEMBL38120 | CP-24441 | Tametral...)Show InChI InChI=1S/C17H19N/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h2-10,14,17-18H,11-12H2,1H3/t14-,17+/m0/s1 | UniProtKB/TrEMBL
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | PDB
Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM86698
(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM112777
(NORTRIPTYLINE | US8629135, SW-02)Show SMILES [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 | UniProtKB/TrEMBL
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | Reactome pathway
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | PDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM82216
(CP-52002)Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m1/s1 | UniProtKB/TrEMBL
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | PDB
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | PDB
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50010859
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 | UniProtKB/TrEMBL
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| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM77970
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 | PDB
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| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM77970
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 | UniProtKB/TrEMBL
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | UniProtKB/TrEMBL
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM82219
(CAS_52760-47-1 | CHEMBL38120 | CP-24441 | Tametral...)Show InChI InChI=1S/C17H19N/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h2-10,14,17-18H,11-12H2,1H3/t14-,17+/m0/s1 | Reactome pathway
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
3-dehydroquinate synthase
(Escherichia coli (strain K12)) | BDBM50028881
((1R,3S,4S)-1,4-Dihydroxy-3-phosphonomethyl-cyclohe...)Show SMILES O[C@H]1CC[C@@](O)(C[C@@H]1CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C8H15O7P/c9-6-1-2-8(12,7(10)11)3-5(6)4-16(13,14)15/h5-6,9,12H,1-4H2,(H,10,11)(H2,13,14,15)/t5-,6+,8-/m1/s1 | KEGG
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory constant against 3-dehydroquinate synthase |
J Med Chem 24: 496-9 (1981)
BindingDB Entry DOI: 10.7270/Q2K64JTV |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM82216
(CP-52002)Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m1/s1 | Reactome pathway
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50409932
(CHEMBL178537)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C(C)(C)C=C Show InChI InChI=1S/C27H39NO4/c1-7-26(3,4)22(18-17-20-14-10-9-11-15-20)32-25(31)21-16-12-13-19-28(21)24(30)23(29)27(5,6)8-2/h7,9-11,14-15,21-22H,1,8,12-13,16-19H2,2-6H3/t21-,22+/m0/s1 | PDB
MMDB
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Reactome pathway
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12) |
J Med Chem 24: 496-9 (1981)
BindingDB Entry DOI: 10.7270/Q2K64JTV |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
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| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM82218
(CP-51973)Show SMILES CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m1/s1 | Reactome pathway
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| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
Reactome pathway
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| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50020707
(CHEMBL287064 | Nomelidine | Norzimelidine | [3-(4-...)Show InChI InChI=1S/C15H15BrN2/c1-17-10-8-15(13-3-2-9-18-11-13)12-4-6-14(16)7-5-12/h2-9,11,17H,10H2,1H3/b15-8- | UniProtKB/TrEMBL
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| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM82218
(CP-51973)Show SMILES CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m1/s1 | UniProtKB/TrEMBL
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| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50020707
(CHEMBL287064 | Nomelidine | Norzimelidine | [3-(4-...)Show InChI InChI=1S/C15H15BrN2/c1-17-10-8-15(13-3-2-9-18-11-13)12-4-6-14(16)7-5-12/h2-9,11,17H,10H2,1H3/b15-8- | PDB
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| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50028066
(4-(3,4-Dichloro-phenyl)-1,2,3,4-tetrahydro-naphtha...)Show InChI InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16-/m0/s1 | PDB
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| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM82216
(CP-52002)Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m1/s1 | PDB
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| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM82218
(CP-51973)Show SMILES CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m1/s1 | PDB
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| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50028091
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ | PDB
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| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | PDB
Reactome pathway
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| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | UniProtKB/TrEMBL
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| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50010859
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 | PDB
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| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM82219
(CAS_52760-47-1 | CHEMBL38120 | CP-24441 | Tametral...)Show InChI InChI=1S/C17H19N/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h2-10,14,17-18H,11-12H2,1H3/t14-,17+/m0/s1 | PDB
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| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | Reactome pathway
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | Reactome pathway
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | UniProtKB/TrEMBL
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | UniProtKB/TrEMBL
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM112777
(NORTRIPTYLINE | US8629135, SW-02)Show SMILES [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 | PDB
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| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50028091
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ | UniProtKB/TrEMBL
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| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | PDB
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| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | PDB
Reactome pathway
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| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50028066
(4-(3,4-Dichloro-phenyl)-1,2,3,4-tetrahydro-naphtha...)Show InChI InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16-/m0/s1 | Reactome pathway
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| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50020706
(CHEMBL37744 | ZIMELIDINE | Zimeldine | [3-(4-Bromo...)Show InChI InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9- | PDB
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| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50028066
(4-(3,4-Dichloro-phenyl)-1,2,3,4-tetrahydro-naphtha...)Show InChI InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16-/m0/s1 | UniProtKB/TrEMBL
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| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM82219
(CAS_52760-47-1 | CHEMBL38120 | CP-24441 | Tametral...)Show InChI InChI=1S/C17H19N/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h2-10,14,17-18H,11-12H2,1H3/t14-,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM77970
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 226: 686-700 (1983)
BindingDB Entry DOI: 10.7270/Q2XP73D5 |
More data for this
Ligand-Target Pair | |
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