Found 202 hits with Last Name = 'halldin' and Initial = 'c' 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 |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50007522
(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...)Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.00300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D2 receptor (unknown origin) |
Bioorg Med Chem 16: 6467-73 (2008)
Article DOI: 10.1016/j.bmc.2008.05.039 BindingDB Entry DOI: 10.7270/Q2QN66JM |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 113: 149-56 (1993)
Article DOI: 10.1007/BF02245691 BindingDB Entry DOI: 10.7270/Q29P3047 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM81778
(CAS_132421 | NNC-756 | NSC_132421)Show InChI InChI=1S/C19H20ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3 | PDB
UniProtKB/SwissProt
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PC cid PC sid UniChem
Patents
| Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 113: 149-56 (1993)
Article DOI: 10.1007/BF02245691 BindingDB Entry DOI: 10.7270/Q29P3047 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50007522
(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...)Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D3 receptor (unknown origin) |
Bioorg Med Chem 16: 6467-73 (2008)
Article DOI: 10.1016/j.bmc.2008.05.039 BindingDB Entry DOI: 10.7270/Q2QN66JM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253862
((-)-3-(4-Chlorophenyl)-N'-[(4-iodophenyl)sulfonyl]...)Show SMILES Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)C(=N)NS(=O)(=O)c1ccc(I)cc1 |r,t:8| Show InChI InChI=1S/C22H18ClIN4O2S/c23-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-28(26-21)22(25)27-31(29,30)19-12-10-18(24)11-13-19/h1-13,20H,14H2,(H2,25,27)/t20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor by [35S]GTPgammaS binding assay |
J Med Chem 51: 5608-16 (2008)
Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110577
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor by [35S]GTPgammaS binding assay |
J Med Chem 51: 5608-16 (2008)
Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253826
((-)-3-(4-Chlorophenyl)-N'-[(4-cyanophenyl)sulfonyl...)Show SMILES Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)C(=N)NS(=O)(=O)c1ccc(cc1)C#N |r,t:8| Show InChI InChI=1S/C23H18ClN5O2S/c24-19-10-8-18(9-11-19)22-21(17-4-2-1-3-5-17)15-29(27-22)23(26)28-32(30,31)20-12-6-16(14-25)7-13-20/h1-13,21H,15H2,(H2,26,28)/t21-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor by [35S]GTPgammaS binding assay |
J Med Chem 51: 5608-16 (2008)
Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110782
(CHEMBL429065 | [5-Iodo-2-(2-methylaminomethyl-phen...)Show InChI InChI=1S/C15H16INOS/c1-17-9-11-4-2-3-5-14(11)19-15-7-6-13(16)8-12(15)10-18/h2-8,17-18H,9-10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | 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 KEGG
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| DrugBank Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Binding affinity at NET |
Bioorg Med Chem 15: 616-25 (2006)
Article DOI: 10.1016/j.bmc.2006.10.065 BindingDB Entry DOI: 10.7270/Q22B8XPV |
More data for this Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3 | PDB
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| PDB Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes |
J Med Chem 54: 2961-70 (2011)
Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110780
(5-Iodo-2-(2-methylaminomethyl-phenylsulfanyl)-phen...)Show InChI InChI=1S/C14H15IN2S/c1-17-9-10-4-2-3-5-13(10)18-14-7-6-11(15)8-12(14)16/h2-8,17H,9,16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from CB1 receptor |
J Med Chem 54: 2961-70 (2011)
Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from CB1 receptor by scintillation counting |
Bioorg Med Chem Lett 19: 6209-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.092 BindingDB Entry DOI: 10.7270/Q23J3D3H |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110777
(5-Bromo-2-(2-methylaminomethyl-phenylsulfanyl)-phe...)Show InChI InChI=1S/C14H15BrN2S/c1-17-9-10-4-2-3-5-13(10)18-14-7-6-11(15)8-12(14)16/h2-8,17H,9,16H2,1H3 | PDB
KEGG
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110788
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3 | PDB
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| PubMed
| 1.65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50073438
(CHEMBL278165 | [5-Bromo-2-(2-dimethylaminomethyl-p...)Show InChI InChI=1S/C16H18BrNOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3 | PDB
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| PubMed
| 1.92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110781
(5-Bromo-2-(2-dimethylaminomethyl-phenylsulfanyl)-p...)Show InChI InChI=1S/C15H17BrN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
KEGG
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 2.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM22167
(1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...)Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2 | Reactome pathway KEGG
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| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Tours
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 147-52 (2006)
Article DOI: 10.1124/jpet.105.096792 BindingDB Entry DOI: 10.7270/Q2JW8CFZ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110784
(CHEMBL284002 | [2-(4-Iodo-2-methoxymethyl-phenylsu...)Show InChI InChI=1S/C17H20INOS/c1-19(2)11-13-6-4-5-7-16(13)21-17-9-8-15(18)10-14(17)12-20-3/h4-10H,11-12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110786
(CHEMBL22259 | [2-(4-Bromo-2-methoxymethyl-phenylsu...)Show InChI InChI=1S/C17H20BrNOS/c1-19(2)11-13-6-4-5-7-16(13)21-17-9-8-15(18)10-14(17)12-20-3/h4-10H,11-12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50311076
(CHEMBL1079079 | [125I]1-(2-iodophenyl)-4-cyano-5-(...)Show SMILES COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccccc1I)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H22IN5O2/c1-31-17-11-9-16(10-12-17)22-18(15-25)21(23(30)27-28-13-5-2-6-14-28)26-29(22)20-8-4-3-7-19(20)24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from CB1 receptor by scintillation counting |
Bioorg Med Chem Lett 19: 6209-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.092 BindingDB Entry DOI: 10.7270/Q23J3D3H |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM81778
(CAS_132421 | NNC-756 | NSC_132421)Show InChI InChI=1S/C19H20ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3 | PDB
Reactome pathway KEGG
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PC cid PC sid UniChem
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| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 113: 149-56 (1993)
Article DOI: 10.1007/BF02245691 BindingDB Entry DOI: 10.7270/Q29P3047 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM81779
(CAS_164252 | NNC-687 | NSC_164252)Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 113: 149-56 (1993)
Article DOI: 10.1007/BF02245691 BindingDB Entry DOI: 10.7270/Q29P3047 |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50073438
(CHEMBL278165 | [5-Bromo-2-(2-dimethylaminomethyl-p...)Show InChI InChI=1S/C16H18BrNOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
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| Purchase
CHEMBL PC cid PC sid UniChem
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| PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50199005
((S)-2-((S)-(2-methoxyphenoxy)(phenyl)methyl)morpho...)Show SMILES COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Binding affinity at NET |
Bioorg Med Chem 15: 616-25 (2006)
Article DOI: 10.1016/j.bmc.2006.10.065 BindingDB Entry DOI: 10.7270/Q22B8XPV |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110783
(CHEMBL22743 | [2-(2-Dimethylaminomethyl-phenylsulf...)Show InChI InChI=1S/C16H18FNOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 7.96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50199003
((R)-1-(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-3-me...)Show InChI InChI=1S/C18H22N2O/c1-19-12-16(21)13-20-17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)20/h2-9,16,19,21H,10-13H2,1H3/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Binding affinity at NET |
Bioorg Med Chem 15: 616-25 (2006)
Article DOI: 10.1016/j.bmc.2006.10.065 BindingDB Entry DOI: 10.7270/Q22B8XPV |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50199004
((S,S)-1-cyclopentyl-2-(5-fluoro-2-methoxy-phenyl)-...)Show SMILES COc1ccc(F)cc1C[C@](O)(C1CCCC1)[C@@H]1CNCCO1 Show InChI InChI=1S/C18H26FNO3/c1-22-16-7-6-15(19)10-13(16)11-18(21,14-4-2-3-5-14)17-12-20-8-9-23-17/h6-7,10,14,17,20-21H,2-5,8-9,11-12H2,1H3/t17-,18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 10.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Binding affinity at NET |
Bioorg Med Chem 15: 616-25 (2006)
Article DOI: 10.1016/j.bmc.2006.10.065 BindingDB Entry DOI: 10.7270/Q22B8XPV |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50296783
((E)-N-(3-iodoprop-2-enyl)-2beta-carbofluoroethoxy-...)Show SMILES Cc1ccc(cc1)[C@H]1C[C@@H]2CC[C@H]([C@H]1C(=O)OCCF)N2C\C=C\I |r,THB:21:20:13.7.8:11.10| Show InChI InChI=1S/C20H25FINO2/c1-14-3-5-15(6-4-14)17-13-16-7-8-18(23(16)11-2-10-22)19(17)20(24)25-12-9-21/h2-6,10,16-19H,7-9,11-13H2,1H3/b10-2+/t16-,17+,18+,19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Displacement of [125I]PE2I from rat DAT |
Bioorg Med Chem Lett 19: 4843-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.032 BindingDB Entry DOI: 10.7270/Q2VH5NWZ |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50110782
(CHEMBL429065 | [5-Iodo-2-(2-methylaminomethyl-phen...)Show InChI InChI=1S/C15H16INOS/c1-17-9-11-4-2-3-5-14(11)19-15-7-6-13(16)8-12(15)10-18/h2-8,17-18H,9-10H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 12.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50342037
(1-(2-Bromophenyl)-N-(1-cyanocyclohexyl)-5-(4-metho...)Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1Br)C(=O)NC1(CCCCC1)C#N Show InChI InChI=1S/C25H25BrN4O2/c1-17-22(24(31)28-25(16-27)14-6-3-7-15-25)29-30(21-9-5-4-8-20(21)26)23(17)18-10-12-19(32-2)13-11-18/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,28,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from CB1 receptor |
J Med Chem 54: 2961-70 (2011)
Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50296782
((1R,2S,3S,5S)-methyl 8-((E)-3-iodoallyl)-3-p-tolyl...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,THB:19:18:4.10.9:6.7| Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Displacement of [125I]PE2I from rat DAT |
Bioorg Med Chem Lett 19: 4843-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.032 BindingDB Entry DOI: 10.7270/Q2VH5NWZ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253861
((+)-3-(4-Chlorophenyl)-N'-[(4-cyanophenyl)sulfonyl...)Show SMILES Clc1ccc(cc1)C1=NN(C[C@H]1c1ccccc1)C(=N)NS(=O)(=O)c1ccc(cc1)C#N |r,t:8| Show InChI InChI=1S/C23H18ClN5O2S/c24-19-10-8-18(9-11-19)22-21(17-4-2-1-3-5-17)15-29(27-22)23(26)28-32(30,31)20-12-6-16(14-25)7-13-20/h1-13,21H,15H2,(H2,26,28)/t21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor by [35S]GTPgammaS binding assay |
J Med Chem 51: 5608-16 (2008)
Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50253863
((+)-3-(4-Chlorophenyl)-N'-[(4-iodophenyl)sulfonyl]...)Show SMILES Clc1ccc(cc1)C1=NN(C[C@H]1c1ccccc1)C(=N)NS(=O)(=O)c1ccc(I)cc1 |r,t:8| Show InChI InChI=1S/C22H18ClIN4O2S/c23-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-28(26-21)22(25)27-31(29,30)19-12-10-18(24)11-13-19/h1-13,20H,14H2,(H2,25,27)/t20-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor by [35S]GTPgammaS binding assay |
J Med Chem 51: 5608-16 (2008)
Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50296782
((1R,2S,3S,5S)-methyl 8-((E)-3-iodoallyl)-3-p-tolyl...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,THB:19:18:4.10.9:6.7| Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Tours
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 317: 147-52 (2006)
Article DOI: 10.1124/jpet.105.096792 BindingDB Entry DOI: 10.7270/Q2JW8CFZ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110787
(2-(2-{[(2-Fluoro-ethyl)-methyl-amino]-methyl}-phen...)Show InChI InChI=1S/C16H18FIN2S/c1-20(9-8-17)11-12-4-2-3-5-15(12)21-16-7-6-13(18)10-14(16)19/h2-7,10H,8-9,11,19H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 19.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50110783
(CHEMBL22743 | [2-(2-Dimethylaminomethyl-phenylsulf...)Show InChI InChI=1S/C16H18FNOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 28.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50342038
(1-(2-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-...)Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1Br)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C24H23BrN4O3/c1-16-21(23(30)27-24(15-26)11-13-32-14-12-24)28-29(20-6-4-3-5-19(20)25)22(16)17-7-9-18(31-2)10-8-17/h3-10H,11-14H2,1-2H3,(H,27,30) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes |
J Med Chem 54: 2961-70 (2011)
Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 113: 149-56 (1993)
Article DOI: 10.1007/BF02245691 BindingDB Entry DOI: 10.7270/Q29P3047 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50110778
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(2-iodo...)Show InChI InChI=1S/C17H19IN2S/c1-20(2)12-14-5-3-4-6-16(14)21-17-8-7-13(9-10-18)11-15(17)19/h3-11H,12,19H2,1-2H3/b10-9+ | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 53.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50342039
(1-(2-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-...)Show SMILES Cc1c(nn(c1-c1ccc(F)cc1)-c1ccccc1Br)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C23H20BrFN4O2/c1-15-20(22(30)27-23(14-26)10-12-31-13-11-23)28-29(19-5-3-2-4-18(19)24)21(15)16-6-8-17(25)9-7-16/h2-9H,10-13H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from CB1 receptor |
J Med Chem 54: 2961-70 (2011)
Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS |
More data for this Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50342040
(1-(3-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-...)Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1cccc(Br)c1)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C24H23BrN4O3/c1-16-21(23(30)27-24(15-26)10-12-32-13-11-24)28-29(19-5-3-4-18(25)14-19)22(16)17-6-8-20(31-2)9-7-17/h3-9,14H,10-13H2,1-2H3,(H,27,30) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 61.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes |
J Med Chem 54: 2961-70 (2011)
Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50342038
(1-(2-Bromophenyl)-N-(4-cyanotetrahydro-2H-pyran-4-...)Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1Br)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C24H23BrN4O3/c1-16-21(23(30)27-24(15-26)11-13-32-14-12-24)28-29(20-6-4-3-5-19(20)25)22(16)17-7-9-18(31-2)10-8-17/h3-10H,11-14H2,1-2H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 62.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from CB1 receptor |
J Med Chem 54: 2961-70 (2011)
Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS |
More data for this Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50342041
(1-(2-Bromophenyl)-N-(1-cyanocyclohexyl)-4-methyl-5...)Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccccc1Br)C(=O)NC1(CCCCC1)C#N Show InChI InChI=1S/C24H23BrN4O/c1-17-21(23(30)27-24(16-26)14-8-3-9-15-24)28-29(20-13-7-6-12-19(20)25)22(17)18-10-4-2-5-11-18/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,27,30) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 75.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes |
J Med Chem 54: 2961-70 (2011)
Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50110778
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(2-iodo...)Show InChI InChI=1S/C17H19IN2S/c1-20(2)12-14-5-3-4-6-16(14)21-17-8-7-13(9-10-18)11-15(17)19/h3-11H,12,19H2,1-2H3/b10-9+ | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 80.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50311076
(CHEMBL1079079 | [125I]1-(2-iodophenyl)-4-cyano-5-(...)Show SMILES COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccccc1I)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H22IN5O2/c1-31-17-11-9-16(10-12-17)22-18(15-25)21(23(30)27-28-13-5-2-6-14-28)26-29(22)20-8-4-3-7-19(20)24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,27,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]8OH-DPAT from 5HT1A receptor at 10 uM by scintillation counting |
Bioorg Med Chem Lett 19: 6209-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.092 BindingDB Entry DOI: 10.7270/Q23J3D3H |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50110781
(5-Bromo-2-(2-dimethylaminomethyl-phenylsulfanyl)-p...)Show InChI InChI=1S/C15H17BrN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50110777
(5-Bromo-2-(2-methylaminomethyl-phenylsulfanyl)-phe...)Show InChI InChI=1S/C14H15BrN2S/c1-17-9-10-4-2-3-5-13(10)18-14-7-6-11(15)8-12(14)16/h2-8,17H,9,16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates |
J Med Chem 45: 1253-8 (2002)
BindingDB Entry DOI: 10.7270/Q2TH8M15 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50342042
(CHEMBL1765682 | N-(4-Cyanotetrahydro-2H-pyran-4-yl...)Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1F)C(=O)NC1(CCOCC1)C#N Show InChI InChI=1S/C24H23FN4O3/c1-16-21(23(30)27-24(15-26)11-13-32-14-12-24)28-29(20-6-4-3-5-19(20)25)22(16)17-7-9-18(31-2)10-8-17/h3-10H,11-14H2,1-2H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from CB1 receptor |
J Med Chem 54: 2961-70 (2011)
Article DOI: 10.1021/jm2000536 BindingDB Entry DOI: 10.7270/Q2KS6SJS |
More data for this Ligand-Target Pair | |