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PubMed code 1825115

Compile data set for download or QSAR
Found 16 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))
BDBM50452985
PNG
(CHEMBL2114234)
Show SMILES CCCCCCN1CCC[C@@H]1CNC(=O)c1cc(cc2C[C@H](C)Oc12)S(N)(=O)=O
Show InChI InChI=1S/C21H33N3O4S/c1-3-4-5-6-9-24-10-7-8-17(24)14-23-21(25)19-13-18(29(22,26)27)12-16-11-15(2)28-20(16)19/h12-13,15,17H,3-11,14H2,1-2H3,(H,23,25)(H2,22,26,27)/t15-,17+/m0/s1
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PubMed
6.70n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50452983
PNG
(CHEMBL2114236)
Show SMILES CCCCN1CCC[C@@H]1CNC(=O)c1cc(cc2C[C@H](C)Oc12)S(N)(=O)=O
Show InChI InChI=1S/C19H29N3O4S/c1-3-4-7-22-8-5-6-15(22)12-21-19(23)17-11-16(27(20,24)25)10-14-9-13(2)26-18(14)17/h10-11,13,15H,3-9,12H2,1-2H3,(H,21,23)(H2,20,24,25)/t13-,15+/m0/s1
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PubMed
9.40n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50452981
PNG
(CHEMBL2115231)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(cc2C[C@H](C)Oc12)S(N)(=O)=O
Show InChI InChI=1S/C17H25N3O4S/c1-3-20-6-4-5-13(20)10-19-17(21)15-9-14(25(18,22)23)8-12-7-11(2)24-16(12)15/h8-9,11,13H,3-7,10H2,1-2H3,(H,19,21)(H2,18,22,23)/t11-,13-/m0/s1
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9.60n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50452980
PNG
(CHEMBL2115232)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(cc2C[C@@H](C)Oc12)S(N)(=O)=O
Show InChI InChI=1S/C17H25N3O4S/c1-3-20-6-4-5-13(20)10-19-17(21)15-9-14(25(18,22)23)8-12-7-11(2)24-16(12)15/h8-9,11,13H,3-7,10H2,1-2H3,(H,19,21)(H2,18,22,23)/t11-,13+/m1/s1
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21n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50452984
PNG
(CHEMBL2114235)
Show SMILES CCCCN1CCC[C@@H]1CNC(=O)c1cc(cc2C[C@@H](C)Oc12)S(N)(=O)=O
Show InChI InChI=1S/C19H29N3O4S/c1-3-4-7-22-8-5-6-15(22)12-21-19(23)17-11-16(27(20,24)25)10-14-9-13(2)26-18(14)17/h10-11,13,15H,3-9,12H2,1-2H3,(H,21,23)(H2,20,24,25)/t13-,15-/m1/s1
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23n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM81774
PNG
(CAS_15676-16-1 | SULPIRIDE,(+) | Sulpiride-S | Sul...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
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29n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50284586
PNG
(CHEMBL22857 | N-((S)-1-Butyl-pyrrolidin-2-ylmethyl...)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H27N3O4S/c1-3-4-9-20-10-5-6-13(20)12-19-17(21)15-11-14(25(18,22)23)7-8-16(15)24-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,19,21)(H2,18,22,23)/t13-/m0/s1
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51n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50452990
PNG
(CHEMBL2114240)
Show SMILES CCCCCCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C19H31N3O4S/c1-3-4-5-6-11-22-12-7-8-15(22)14-21-19(23)17-13-16(27(20,24)25)9-10-18(17)26-2/h9-10,13,15H,3-8,11-12,14H2,1-2H3,(H,21,23)(H2,20,24,25)/t15-/m1/s1
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59n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50452982
PNG
(CHEMBL2115229)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(cc2C[C@H](C)Oc12)S(N)(=O)=O
Show InChI InChI=1S/C19H29N3O4S/c1-3-4-7-22-8-5-6-15(22)12-21-19(23)17-11-16(27(20,24)25)10-14-9-13(2)26-18(14)17/h10-11,13,15H,3-9,12H2,1-2H3,(H,21,23)(H2,20,24,25)/t13-,15-/m0/s1
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95n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50452987
PNG
(CHEMBL2115228)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(cc2C[C@@H](C)Oc12)S(N)(=O)=O
Show InChI InChI=1S/C19H29N3O4S/c1-3-4-7-22-8-5-6-15(22)12-21-19(23)17-11-16(27(20,24)25)10-14-9-13(2)26-18(14)17/h10-11,13,15H,3-9,12H2,1-2H3,(H,21,23)(H2,20,24,25)/t13-,15+/m1/s1
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210n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50284609
PNG
(CHEMBL278762 | N-((R)-1-Butyl-pyrrolidin-2-ylmethy...)
Show SMILES CCCCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H27N3O4S/c1-3-4-9-20-10-5-6-13(20)12-19-17(21)15-11-14(25(18,22)23)7-8-16(15)24-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,19,21)(H2,18,22,23)/t13-/m1/s1
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230n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50452988
PNG
(CHEMBL2114238)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1cc(cc2C[C@H](C)Oc12)S(N)(=O)=O
Show InChI InChI=1S/C17H25N3O4S/c1-3-20-6-4-5-13(20)10-19-17(21)15-9-14(25(18,22)23)8-12-7-11(2)24-16(12)15/h8-9,11,13H,3-7,10H2,1-2H3,(H,19,21)(H2,18,22,23)/t11-,13+/m0/s1
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400n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50452986
PNG
(CHEMBL2115227)
Show SMILES CCCCCCN1CCC[C@H]1CNC(=O)c1cc(cc2C[C@H](C)Oc12)S(N)(=O)=O
Show InChI InChI=1S/C21H33N3O4S/c1-3-4-5-6-9-24-10-7-8-17(24)14-23-21(25)19-13-18(29(22,26)27)12-16-11-15(2)28-20(16)19/h12-13,15,17H,3-11,14H2,1-2H3,(H,23,25)(H2,22,26,27)/t15-,17-/m0/s1
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630n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50452989
PNG
(CHEMBL2114239)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1cc(cc2C[C@@H](C)Oc12)S(N)(=O)=O
Show InChI InChI=1S/C17H25N3O4S/c1-3-20-6-4-5-13(20)10-19-17(21)15-9-14(25(18,22)23)8-12-7-11(2)24-16(12)15/h8-9,11,13H,3-7,10H2,1-2H3,(H,19,21)(H2,18,22,23)/t11-,13-/m1/s1
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650n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM50452979
PNG
(CHEMBL2115233)
Show SMILES CCCCCCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C19H31N3O4S/c1-3-4-5-6-11-22-12-7-8-15(22)14-21-19(23)17-13-16(27(20,24)25)9-10-18(17)26-2/h9-10,13,15H,3-8,11-12,14H2,1-2H3,(H,21,23)(H2,20,24,25)/t15-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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


(Rattus norvegicus (rat))
BDBM81775
PNG
(Sulpiride-R | Sulpiride-d | Sulpiride-high,(-) | S...)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.


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