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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM84637'   
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))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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8n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 929-35 (1992)


BindingDB Entry DOI: 10.7270/Q2RR1WQK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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15.5n/an/an/an/an/an/an/an/a



Washington University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 495-502 (1994)


BindingDB Entry DOI: 10.7270/Q2S75DWP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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24n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 929-35 (1992)


BindingDB Entry DOI: 10.7270/Q2RR1WQK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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47n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




Neuropsychopharmacology 20: 612-27 (1999)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2ZP44NW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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48n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1166-78 (2002)


Article DOI: 10.1016/j.bioorg.2016.03.010
BindingDB Entry DOI: 10.7270/Q2V69H4V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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54n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]raclopride from dopamine receptor D2 in rat striatal homogenates


J Med Chem 35: 1076-92 (1992)


Article DOI: 10.1021/jm00084a013
BindingDB Entry DOI: 10.7270/Q2DB82GX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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389n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by PDSP Ki Database




Synapse 15: 169-76 (1993)


Article DOI: 10.1002/syn.890150302
BindingDB Entry DOI: 10.7270/Q2MS3R8Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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576n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 610-4 (1991)


Article DOI: 10.1038/350610a0
BindingDB Entry DOI: 10.7270/Q24T6GVD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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576n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Nature 347: 146-51 (1990)


Article DOI: 10.1038/347146a0
BindingDB Entry DOI: 10.7270/Q2CC0Z5N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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734n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by PDSP Ki Database




Synapse 15: 169-76 (1993)


Article DOI: 10.1002/syn.890150302
BindingDB Entry DOI: 10.7270/Q2MS3R8Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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930n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by PDSP Ki Database




Synapse 15: 169-76 (1993)


Article DOI: 10.1002/syn.890150302
BindingDB Entry DOI: 10.7270/Q2MS3R8Z
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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7.70E+3n/an/an/an/an/an/an/an/a



Washington University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 495-502 (1994)


BindingDB Entry DOI: 10.7270/Q2S75DWP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]- -spiperone from Dopamine receptor D2 in rat striatum


J Med Chem 33: 1756-64 (1990)


Article DOI: 10.1021/jm00168a034
BindingDB Entry DOI: 10.7270/Q23X877X
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/a 2.30E+3n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 2.20n/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Agonist activity by measuring the [3H]thymidine uptake against Dopamine receptor D2L from rat


J Med Chem 43: 2871-82 (2000)


Article DOI: 10.1021/jm0000113
BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Effective concentration to stimulate rat Dopamine receptor D2S mediated [3H]-thymidine incorporation into growing cells using mitogenesis assay


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 48n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Effective concentration to stimulate rat Dopamine receptor D2L mediated [3H]-thymidine incorporation into growing cells using mitogenesis assay


J Med Chem 48: 2493-508 (2005)


Article DOI: 10.1021/jm049269+
BindingDB Entry DOI: 10.7270/Q2TT4QGT
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/a 6.70E+3n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/a 3.50E+3n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 9n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Activity at rat dopamine D2L receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production


J Med Chem 49: 6848-57 (2006)


Article DOI: 10.1021/jm0604979
BindingDB Entry DOI: 10.7270/Q25T3M92
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/a 1.90E+3n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair