BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'tipker' and Initial = 'k'   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123075
PNG
(4-Fluoro-2-{5-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5cccc(F)c5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C26H25F2N3O2/c27-18-7-8-23-20(15-18)21(16-29-23)17-9-13-30(14-10-17)11-2-1-3-12-31-25(32)19-5-4-6-22(28)24(19)26(31)33/h4-9,15-16,29H,1-3,10-14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.400n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123069
PNG
(2-(4-(4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C25H24FN3O2/c26-18-7-8-23-21(15-18)22(16-27-23)17-9-13-28(14-10-17)11-3-4-12-29-24(30)19-5-1-2-6-20(19)25(29)31/h1-2,5-9,15-16,27H,3-4,10-14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.600n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123076
PNG
(2-{7-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C28H30FN3O2/c29-21-10-11-26-24(18-21)25(19-30-26)20-12-16-31(17-13-20)14-6-2-1-3-7-15-32-27(33)22-8-4-5-9-23(22)28(32)34/h4-5,8-12,18-19,30H,1-3,6-7,13-17H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.800n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123081
PNG
(4-Fluoro-2-{5-[4-(1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c12 |c:17|
Show InChI InChI=1S/C26H26FN3O2/c27-22-9-6-8-20-24(22)26(32)30(25(20)31)14-5-1-4-13-29-15-11-18(12-16-29)21-17-28-23-10-3-2-7-19(21)23/h2-3,6-11,17,28H,1,4-5,12-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.800n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123070
PNG
(2-{5-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Cc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c12 |c:17|
Show InChI InChI=1S/C27H28FN3O2/c1-18-6-5-7-21-25(18)27(33)31(26(21)32)13-4-2-3-12-30-14-10-19(11-15-30)23-17-29-24-9-8-20(28)16-22(23)24/h5-10,16-17,29H,2-4,11-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123080
PNG
(2-{5-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES Cc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c12 |c:17|
Show InChI InChI=1S/C27H29N3O2/c1-19-8-7-10-22-25(19)27(32)30(26(22)31)15-6-2-5-14-29-16-12-20(13-17-29)23-18-28-24-11-4-3-9-21(23)24/h3-4,7-12,18,28H,2,5-6,13-17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123074
PNG
(2-{5-[4-(7-Methyl-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Cc1cccc2c(c[nH]c12)C1=CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1 |t:12|
Show InChI InChI=1S/C27H29N3O2/c1-19-8-7-11-21-24(18-28-25(19)21)20-12-16-29(17-13-20)14-5-2-6-15-30-26(31)22-9-3-4-10-23(22)27(30)32/h3-4,7-12,18,28H,2,5-6,13-17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.30n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123072
PNG
(5-Fluoro-2-{5-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Fc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c2c1 |c:16|
Show InChI InChI=1S/C26H25F2N3O2/c27-18-4-6-20-22(15-18)26(33)31(25(20)32)11-3-1-2-10-30-12-8-17(9-13-30)23-16-29-24-7-5-19(28)14-21(23)24/h4-8,14-16,29H,1-3,9-13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.30n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123073
PNG
(1-(4-Fluoro-phenyl)-4-{4-[2-(1H-indol-3-yl)-ethyl]...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H29FN2O/c26-22-11-9-20(10-12-22)25(29)6-3-15-28-16-13-19(14-17-28)7-8-21-18-27-24-5-2-1-4-23(21)24/h1-2,4-5,9-12,18-19,27H,3,6-8,13-17H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123083
PNG
(2-{5-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES Cc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c2c1 |c:16|
Show InChI InChI=1S/C27H29N3O2/c1-19-9-10-22-23(17-19)27(32)30(26(22)31)14-6-2-5-13-29-15-11-20(12-16-29)24-18-28-25-8-4-3-7-21(24)25/h3-4,7-11,17-18,28H,2,5-6,12-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123077
PNG
(5-Fluoro-2-{5-[4-(1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c2c1 |c:16|
Show InChI InChI=1S/C26H26FN3O2/c27-19-8-9-21-22(16-19)26(32)30(25(21)31)13-5-1-4-12-29-14-10-18(11-15-29)23-17-28-24-7-3-2-6-20(23)24/h2-3,6-10,16-17,28H,1,4-5,11-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123082
PNG
(2-{5-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C26H26FN3O2/c27-19-8-9-24-22(16-19)23(17-28-24)18-10-14-29(15-11-18)12-4-1-5-13-30-25(31)20-6-2-3-7-21(20)26(30)32/h2-3,6-10,16-17,28H,1,4-5,11-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50029150
PNG
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)
Show SMILES C(Cc1c[nH]c2ccccc12)C1CCNCC1
Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 2.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123078
PNG
(2-{5-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES O=C1N(CCCCCN2CCC(=CC2)c2c[nH]c3ccccc23)C(=O)c2ccccc12 |c:11|
Show InChI InChI=1S/C26H27N3O2/c30-25-21-9-2-3-10-22(21)26(31)29(25)15-7-1-6-14-28-16-12-19(13-17-28)23-18-27-24-11-5-4-8-20(23)24/h2-5,8-12,18,27H,1,6-7,13-17H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PubMed
 3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123071
PNG
(2-{5-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Cc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c2c1 |c:16|
Show InChI InChI=1S/C27H28FN3O2/c1-18-5-7-21-23(15-18)27(33)31(26(21)32)12-4-2-3-11-30-13-9-19(10-14-30)24-17-29-25-8-6-20(28)16-22(24)25/h5-9,15-17,29H,2-4,10-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123082
PNG
(2-{5-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C26H26FN3O2/c27-19-8-9-24-22(16-19)23(17-28-24)18-10-14-29(15-11-18)12-4-1-5-13-30-25(31)20-6-2-3-7-21(20)26(30)32/h2-3,6-10,16-17,28H,1,4-5,11-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 6n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50230537
PNG
((S)-3-(4-chlorophenyl)-N'-(4-chlorophenylsulfonyl)...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 7.80n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123072
PNG
(5-Fluoro-2-{5-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Fc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c2c1 |c:16|
Show InChI InChI=1S/C26H25F2N3O2/c27-18-4-6-20-22(15-18)26(33)31(25(20)32)11-3-1-2-10-30-12-8-17(9-13-30)23-16-29-24-7-5-19(28)14-21(23)24/h4-8,14-16,29H,1-3,9-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 10n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123075
PNG
(4-Fluoro-2-{5-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5cccc(F)c5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C26H25F2N3O2/c27-18-7-8-23-20(15-18)21(16-29-23)17-9-13-30(14-10-17)11-2-1-3-12-31-25(32)19-5-4-6-22(28)24(19)26(31)33/h4-9,15-16,29H,1-3,10-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 12n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138899
PNG
(3-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-di...)
Show SMILES CN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-9-5-8-19(25)14-20)29-15-21(16-6-3-2-4-7-16)22(27-29)17-10-12-18(24)13-11-17/h2-14,21H,15H2,1H3,(H,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 13.9n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123079
PNG
(2-{5-[4-(5-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C26H26ClN3O2/c27-19-8-9-24-22(16-19)23(17-28-24)18-10-14-29(15-11-18)12-4-1-5-13-30-25(31)20-6-2-3-7-21(20)26(30)32/h2-3,6-10,16-17,28H,1,4-5,11-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 16n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123069
PNG
(2-(4-(4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C25H24FN3O2/c26-18-7-8-23-21(15-18)22(16-27-23)17-9-13-28(14-10-17)11-3-4-12-29-24(30)19-5-1-2-6-20(19)25(29)31/h1-2,5-9,15-16,27H,3-4,10-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 16n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138902
PNG
(CHEMBL160767 | N-[1-Amino-1-[3-(4-chloro-phenyl)-4...)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N)NS(=O)(=O)c1ccc(Cl)cc1 |t:8|
Show InChI InChI=1S/C22H18Cl2N4O2S/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)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 16.1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138903
PNG
(CHEMBL350924 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES CSC(=NS(=O)(=O)c1ccc(cc1)C(F)(F)F)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:3.3,c:21|
Show InChI InChI=1S/C24H19ClF3N3O2S2/c1-34-23(30-35(32,33)20-13-9-18(10-14-20)24(26,27)28)31-15-21(16-5-3-2-4-6-16)22(29-31)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 16.6n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123079
PNG
(2-{5-[4-(5-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C26H26ClN3O2/c27-19-8-9-24-22(16-19)23(17-28-24)18-10-14-29(15-11-18)12-4-1-5-13-30-25(31)20-6-2-3-7-21(20)26(30)32/h2-3,6-10,16-17,28H,1,4-5,11-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 20n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123084
PNG
(2-{3-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C24H22FN3O2/c25-17-6-7-22-20(14-17)21(15-26-22)16-8-12-27(13-9-16)10-3-11-28-23(29)18-4-1-2-5-19(18)24(28)30/h1-2,4-8,14-15,26H,3,9-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 20n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123071
PNG
(2-{5-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Cc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c2c1 |c:16|
Show InChI InChI=1S/C27H28FN3O2/c1-18-5-7-21-23(15-18)27(33)31(26(21)32)12-4-2-3-11-30-13-9-19(10-14-30)24-17-29-25-8-6-20(28)16-22(24)25/h5-9,15-17,29H,2-4,10-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 20n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138897
PNG
(CHEMBL351123 | Naphthalene-2-sulfonic acid 1-[3-(4...)
Show SMILES CN=C(NS(=O)(=O)c1ccc2ccccc2c1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:22|
Show InChI InChI=1S/C27H23ClN4O2S/c1-29-27(31-35(33,34)24-16-13-19-7-5-6-10-22(19)17-24)32-18-25(20-8-3-2-4-9-20)26(30-32)21-11-14-23(28)15-12-21/h2-17,25H,18H2,1H3,(H,29,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 21.8n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138921
PNG
(CHEMBL158138 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:13.14,c:19|
Show InChI InChI=1S/C24H23ClN4O3S/c1-26-24(28-33(30,31)21-14-12-20(32-2)13-15-21)29-16-22(17-6-4-3-5-7-17)23(27-29)18-8-10-19(25)11-9-18/h3-15,22H,16H2,1-2H3,(H,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 22.9n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138912
PNG
(CHEMBL156556 | N-[1-Amino-1-[3-(4-chloro-phenyl)-4...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(=N)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:19|
Show InChI InChI=1S/C25H25ClN4O2S/c1-16-13-17(2)24(18(3)14-16)33(31,32)29-25(27)30-15-22(19-7-5-4-6-8-19)23(28-30)20-9-11-21(26)12-10-20/h4-14,22H,15H2,1-3H3,(H2,27,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 24.2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
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
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
Article
PubMed
 25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123078
PNG
(2-{5-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES O=C1N(CCCCCN2CCC(=CC2)c2c[nH]c3ccccc23)C(=O)c2ccccc12 |c:11|
Show InChI InChI=1S/C26H27N3O2/c30-25-21-9-2-3-10-22(21)26(31)29(25)15-7-1-6-14-28-16-12-19(13-17-28)23-18-27-24-11-5-4-8-20(23)24/h2-5,8-12,18,27H,1,6-7,13-17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123070
PNG
(2-{5-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Cc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c12 |c:17|
Show InChI InChI=1S/C27H28FN3O2/c1-18-6-5-7-21-25(18)27(33)31(26(21)32)13-4-2-3-12-30-14-10-19(11-15-30)23-17-29-24-9-8-20(28)16-22(23)24/h5-10,16-17,29H,2-4,11-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123076
PNG
(2-{7-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C28H30FN3O2/c29-21-10-11-26-24(18-21)25(19-30-26)20-12-16-31(17-13-20)14-6-2-1-3-7-15-32-27(33)22-8-4-5-9-23(22)28(32)34/h4-5,8-12,18-19,30H,1-3,6-7,13-17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50123084
PNG
(2-{3-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
Show InChI InChI=1S/C24H22FN3O2/c25-17-6-7-22-20(14-17)21(15-26-22)16-8-12-27(13-9-16)10-3-11-28-23(29)18-4-1-2-5-19(18)24(28)30/h1-2,4-8,14-15,26H,3,9-13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123081
PNG
(4-Fluoro-2-{5-[4-(1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c12 |c:17|
Show InChI InChI=1S/C26H26FN3O2/c27-22-9-6-8-20-24(22)26(32)30(25(20)31)14-5-1-4-13-29-15-11-18(12-16-29)21-17-28-23-10-3-2-7-19(21)23/h2-3,6-11,17,28H,1,4-5,12-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138915
PNG
(CHEMBL156264 | N-[1-[(S)-3-(4-Chloro-phenyl)-4-phe...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(cc1)C(F)(F)F)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:21|
Show InChI InChI=1S/C24H20ClF3N4O2S/c1-29-23(31-35(33,34)20-13-9-18(10-14-20)24(26,27)28)32-15-21(16-5-3-2-4-6-16)22(30-32)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3,(H,29,31)/t21-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 35.9n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138900
PNG
(CHEMBL157591 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES CN=C(NS(=O)(=O)c1cccc(c1)C(F)(F)F)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:21|
Show InChI InChI=1S/C24H20ClF3N4O2S/c1-29-23(31-35(33,34)20-9-5-8-18(14-20)24(26,27)28)32-15-21(16-6-3-2-4-7-16)22(30-32)17-10-12-19(25)13-11-17/h2-14,21H,15H2,1H3,(H,29,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 36.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123074
PNG
(2-{5-[4-(7-Methyl-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Cc1cccc2c(c[nH]c12)C1=CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1 |t:12|
Show InChI InChI=1S/C27H29N3O2/c1-19-8-7-11-21-24(18-28-25(19)21)20-12-16-29(17-13-20)14-5-2-6-15-30-26(31)22-9-3-4-10-23(22)27(30)32/h3-4,7-12,18,28H,2,5-6,13-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 40n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123073
PNG
(1-(4-Fluoro-phenyl)-4-{4-[2-(1H-indol-3-yl)-ethyl]...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H29FN2O/c26-22-11-9-20(10-12-22)25(29)6-3-15-28-16-13-19(14-17-28)7-8-21-18-27-24-5-2-1-4-23(21)24/h1-2,4-5,9-12,18-19,27H,3,6-8,13-17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 40n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123083
PNG
(2-{5-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES Cc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c2c1 |c:16|
Show InChI InChI=1S/C27H29N3O2/c1-19-9-10-22-23(17-19)27(32)30(26(22)31)14-6-2-5-13-29-15-11-20(12-16-29)24-18-28-25-8-4-3-7-21(24)25/h3-4,7-11,17-18,28H,2,5-6,12-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 40n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123077
PNG
(5-Fluoro-2-{5-[4-(1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c2c1 |c:16|
Show InChI InChI=1S/C26H26FN3O2/c27-19-8-9-21-22(16-19)26(32)30(25(21)31)13-5-1-4-12-29-14-10-18(11-15-29)23-17-28-24-7-3-2-6-20(23)24/h2-3,6-10,16-17,28H,1,4-5,11-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 40n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138919
PNG
(CHEMBL158502 | N-[1-Amino-1-[3-(4-chloro-phenyl)-4...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=N)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:17|
Show InChI InChI=1S/C22H18ClFN4O2S/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)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 52.6n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138918
PNG
(CHEMBL348174 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES CN=C(NS(=O)(=O)c1c(C)cc(C)cc1C)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:20|
Show InChI InChI=1S/C26H27ClN4O2S/c1-17-14-18(2)25(19(3)15-17)34(32,33)30-26(28-4)31-16-23(20-8-6-5-7-9-20)24(29-31)21-10-12-22(27)13-11-21/h5-15,23H,16H2,1-4H3,(H,28,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 54.2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138923
PNG
(4-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-di...)
Show SMILES C\N=C(/NC(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:17|
Show InChI InChI=1S/C24H20Cl2N4O/c1-27-24(28-23(31)18-9-13-20(26)14-10-18)30-15-21(16-5-3-2-4-6-16)22(29-30)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3,(H,27,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 70.6n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50138909
PNG
(2-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-di...)
Show SMILES CN=C(NS(=O)(=O)c1ccccc1Cl)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)21-10-6-5-9-20(21)25)29-15-19(16-7-3-2-4-8-16)22(27-29)17-11-13-18(24)14-12-17/h2-14,19H,15H2,1H3,(H,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 75.4n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells

J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50123080
PNG
(2-{5-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES Cc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c12 |c:17|
Show InChI InChI=1S/C27H29N3O2/c1-19-8-7-10-22-25(19)27(32)30(26(22)31)15-6-2-5-14-29-16-12-20(13-17-29)23-18-28-24-11-4-3-9-21(23)24/h3-4,7-12,18,28H,2,5-6,13-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 100n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.

Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 102 total )  |  Next  |  Last  >>
Jump to: