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PubMed code 1968512

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010621
PNG
(6-[Propyl-(2-thiophen-3-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1ccsc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-8-15-9-12-22-14-15)17-6-7-18-16(13-17)4-3-5-19(18)21/h3-5,9,12,14,17,21H,2,6-8,10-11,13H2,1H3
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n/an/a 0.620n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-N-0437 binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010621
PNG
(6-[Propyl-(2-thiophen-3-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1ccsc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-8-15-9-12-22-14-15)17-6-7-18-16(13-17)4-3-5-19(18)21/h3-5,9,12,14,17,21H,2,6-8,10-11,13H2,1H3
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n/an/a 8.80n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010613
PNG
(3-(Octahydro-indolizin-8-yl)-phenol | CHEMBL7850)
Show SMILES Oc1cccc(c1)[C@H]1CCCN2CCCC12
Show InChI InChI=1S/C14H19NO/c16-12-5-1-4-11(10-12)13-6-2-8-15-9-3-7-14(13)15/h1,4-5,10,13-14,16H,2-3,6-9H2/t13-,14?/m1/s1
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n/an/a 45n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-N-0437 binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-N-0437 binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010616
PNG
((+)-3-(Octahydro-indolizin-8-yl)-phenol | (-)-3-(O...)
Show SMILES Oc1cccc(c1)C1CCCN2CCCC12
Show InChI InChI=1S/C14H19NO/c16-12-5-1-4-11(10-12)13-6-2-8-15-9-3-7-14(13)15/h1,4-5,10,13-14,16H,2-3,6-9H2
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n/an/a 75n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-N-0437 binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-N-0437 binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010620
PNG
(3-(Octahydro-indolizin-8-yl)-phenol | CHEMBL8074)
Show SMILES Oc1cccc(c1)[C@@H]1CCCN2CCCC12
Show InChI InChI=1S/C14H19NO/c16-12-5-1-4-11(10-12)13-6-2-8-15-9-3-7-14(13)15/h1,4-5,10,13-14,16H,2-3,6-9H2/t13-,14?/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-N-0437 binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010615
PNG
(3-(3,6,7,8,9,9a-Hexahydro-4H-quinolizin-1-yl)-phen...)
Show SMILES Oc1cccc(c1)C1=CCCN2CCCCC12
Show InChI InChI=1S/C15H19NO/c17-13-6-3-5-12(11-13)14-7-4-10-16-9-2-1-8-15(14)16/h3,5-7,11,15,17H,1-2,4,8-10H2
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n/an/a 320n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-N-0437 binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010614
PNG
(3-(Octahydro-quinolizin-1-yl)-phenol | CHEMBL7381 ...)
Show SMILES Oc1cccc(c1)C1CCCN2CCCCC12
Show InChI InChI=1S/C15H21NO/c17-13-6-3-5-12(11-13)14-7-4-10-16-9-2-1-8-15(14)16/h3,5-6,11,14-15,17H,1-2,4,7-10H2
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n/an/a 580n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-N-0437 binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010616
PNG
((+)-3-(Octahydro-indolizin-8-yl)-phenol | (-)-3-(O...)
Show SMILES Oc1cccc(c1)C1CCCN2CCCC12
Show InChI InChI=1S/C14H19NO/c16-12-5-1-4-11(10-12)13-6-2-8-15-9-3-7-14(13)15/h1,4-5,10,13-14,16H,2-3,6-9H2
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010613
PNG
(3-(Octahydro-indolizin-8-yl)-phenol | CHEMBL7850)
Show SMILES Oc1cccc(c1)[C@H]1CCCN2CCCC12
Show InChI InChI=1S/C14H19NO/c16-12-5-1-4-11(10-12)13-6-2-8-15-9-3-7-14(13)15/h1,4-5,10,13-14,16H,2-3,6-9H2/t13-,14?/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010615
PNG
(3-(3,6,7,8,9,9a-Hexahydro-4H-quinolizin-1-yl)-phen...)
Show SMILES Oc1cccc(c1)C1=CCCN2CCCCC12
Show InChI InChI=1S/C15H19NO/c17-13-6-3-5-12(11-13)14-7-4-10-16-9-2-1-8-15(14)16/h3,5-7,11,15,17H,1-2,4,8-10H2
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010620
PNG
(3-(Octahydro-indolizin-8-yl)-phenol | CHEMBL8074)
Show SMILES Oc1cccc(c1)[C@@H]1CCCN2CCCC12
Show InChI InChI=1S/C14H19NO/c16-12-5-1-4-11(10-12)13-6-2-8-15-9-3-7-14(13)15/h1,4-5,10,13-14,16H,2-3,6-9H2/t13-,14?/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50452756
PNG
(CHEMBL2051756)
Show SMILES Oc1cccc(c1)C1CCC2CCCCN2C1
Show InChI InChI=1S/C15H21NO.C2H2O4/c17-15-6-3-4-12(10-15)13-7-8-14-5-1-2-9-16(14)11-13;3-1(4)2(5)6/h3-4,6,10,13-14,17H,1-2,5,7-9,11H2;(H,3,4)(H,5,6)
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-N-0437 binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010614
PNG
(3-(Octahydro-quinolizin-1-yl)-phenol | CHEMBL7381 ...)
Show SMILES Oc1cccc(c1)C1CCCN2CCCCC12
Show InChI InChI=1S/C15H21NO/c17-13-6-3-5-12(11-13)14-7-4-10-16-9-2-1-8-15(14)16/h3,5-6,11,14-15,17H,1-2,4,7-10H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50452756
PNG
(CHEMBL2051756)
Show SMILES Oc1cccc(c1)C1CCC2CCCCN2C1
Show InChI InChI=1S/C15H21NO.C2H2O4/c17-15-6-3-4-12(10-15)13-7-8-14-5-1-2-9-16(14)11-13;3-1(4)2(5)6/h3-4,6,10,13-14,17H,1-2,5,7-9,11H2;(H,3,4)(H,5,6)
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine receptor D2 in rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%