new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 197 hits with Last Name = 'halldin' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007522
PNG
(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC |r|
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.00300n/an/an/an/an/an/an/an/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
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Karolinska Institutet

Curated by PDSP Ki Database




Psychopharmacology (Berl) 113: 149-56 (1993)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q29P3047
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81778
PNG
(CAS_132421 | NNC-756 | NSC_132421)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc2CCOc12
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Karolinska Institutet

Curated by PDSP Ki Database




Psychopharmacology (Berl) 113: 149-56 (1993)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q29P3047
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50007522
PNG
(5-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,3-dime...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC |r|
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
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.220n/an/an/an/an/an/an/an/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
PNG
((-)-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
Article
PubMed
0.300n/an/an/an/an/an/an/an/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))
BDBM21278
PNG
(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

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
Article
PubMed
0.400n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50110577
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N
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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.400n/an/an/an/an/an/an/an/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))
BDBM50253826
PNG
((-)-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

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50110782
PNG
(CHEMBL429065 | [5-Iodo-2-(2-methylaminomethyl-phen...)
Show SMILES CNCc1ccccc1Sc1ccc(I)cc1CO
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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.980n/an/an/an/an/an/an/an/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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
1n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
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

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50110780
PNG
(5-Iodo-2-(2-methylaminomethyl-phenylsulfanyl)-phen...)
Show SMILES CNCc1ccccc1Sc1ccc(I)cc1N
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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.25n/an/an/an/an/an/an/an/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
PNG
(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

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
Article
PubMed
1.40n/an/an/an/an/an/an/an/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
PNG
(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

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
Article
PubMed
1.40n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50110777
PNG
(5-Bromo-2-(2-methylaminomethyl-phenylsulfanyl)-phe...)
Show SMILES CNCc1ccccc1Sc1ccc(Br)cc1N
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.49n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.65n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50073438
PNG
(CHEMBL278165 | [5-Bromo-2-(2-dimethylaminomethyl-p...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(Br)cc1CO
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

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.92n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50110781
PNG
(5-Bromo-2-(2-dimethylaminomethyl-phenylsulfanyl)-p...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(Br)cc1N
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.23n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM22167
PNG
(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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.40n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50110784
PNG
(CHEMBL284002 | [2-(4-Iodo-2-methoxymethyl-phenylsu...)
Show SMILES COCc1cc(I)ccc1Sc1ccccc1CN(C)C
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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.5n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50110786
PNG
(CHEMBL22259 | [2-(4-Bromo-2-methoxymethyl-phenylsu...)
Show SMILES COCc1cc(Br)ccc1Sc1ccccc1CN(C)C
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

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
2.75n/an/an/an/an/an/an/an/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
PNG
(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

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.40n/an/an/an/an/an/an/an/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81778
PNG
(CAS_132421 | NNC-756 | NSC_132421)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc2CCOc12
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



Karolinska Institutet

Curated by PDSP Ki Database




Psychopharmacology (Berl) 113: 149-56 (1993)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q29P3047
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50073438
PNG
(CHEMBL278165 | [5-Bromo-2-(2-dimethylaminomethyl-p...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(Br)cc1CO
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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
5.80n/an/an/an/an/an/an/an/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
DOPAMINE


(RAT)
BDBM81779
PNG
(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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Karolinska Institutet

Curated by PDSP Ki Database




Psychopharmacology (Berl) 113: 149-56 (1993)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q29P3047
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50199005
PNG
((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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.93n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50110783
PNG
(CHEMBL22743 | [2-(2-Dimethylaminomethyl-phenylsulf...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(F)cc1CO
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
7.96n/an/an/an/an/an/an/an/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
PNG
((R)-1-(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-3-me...)
Show SMILES CNC[C@@H](O)CN1c2ccccc2CCc2ccccc12
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.29n/an/an/an/an/an/an/an/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
PNG
((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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10.8n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50296783
PNG
((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
Article
PubMed
12n/an/an/an/an/an/an/an/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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50110782
PNG
(CHEMBL429065 | [5-Iodo-2-(2-methylaminomethyl-phen...)
Show SMILES CNCc1ccccc1Sc1ccc(I)cc1CO
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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
12.8n/an/an/an/an/an/an/an/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
PNG
(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
Article
PubMed
15.7n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50296782
PNG
((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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/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
PNG
((+)-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
Article
PubMed
16.9n/an/an/an/an/an/an/an/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
PNG
((+)-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
Article
PubMed
17.4n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50296782
PNG
((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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50110787
PNG
(2-(2-{[(2-Fluoro-ethyl)-methyl-amino]-methyl}-phen...)
Show SMILES CN(CCF)Cc1ccccc1Sc1ccc(I)cc1N
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
PubMed
19.3n/an/an/an/an/an/an/an/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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50110783
PNG
(CHEMBL22743 | [2-(2-Dimethylaminomethyl-phenylsulf...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(F)cc1CO
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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
28.4n/an/an/an/an/an/an/an/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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50342038
PNG
(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
Article
PubMed
29n/an/an/an/an/an/an/an/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
37n/an/an/an/an/an/an/an/a



Karolinska Institutet

Curated by PDSP Ki Database




Psychopharmacology (Berl) 113: 149-56 (1993)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q29P3047
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50110778
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(2-iodo...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(\C=C\I)cc1N
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
PubMed
53.3n/an/an/an/an/an/an/an/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
PNG
(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
Article
PubMed
55n/an/an/an/an/an/an/an/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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50342040
PNG
(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
Article
PubMed
61.8n/an/an/an/an/an/an/an/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
PNG
(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
Article
PubMed
62.2n/an/an/an/an/an/an/an/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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50342041
PNG
(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
Article
PubMed
75.2n/an/an/an/an/an/an/an/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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50110778
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(2-iodo...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(\C=C\I)cc1N
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+
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
80.2n/an/an/an/an/an/an/an/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 (5-HT1A)


(Homo sapiens (Human))
BDBM50311076
PNG
(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)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
94n/an/an/an/an/an/an/an/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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50110777
PNG
(5-Bromo-2-(2-methylaminomethyl-phenylsulfanyl)-phe...)
Show SMILES CNCc1ccccc1Sc1ccc(Br)cc1N
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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
107n/an/an/an/an/an/an/an/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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50110781
PNG
(5-Bromo-2-(2-dimethylaminomethyl-phenylsulfanyl)-p...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(Br)cc1N
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
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
107n/an/an/an/an/an/an/an/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
PNG
(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
Article
PubMed
115n/an/an/an/an/an/an/an/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
Displayed 1 to 50 (of 197 total )  |  Next  |  Last  >>
Jump to: