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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'boundy' and Initial = 'va'   
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))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.0100n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368742
PNG
(CHEMBL1169525)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC2CCCC1N2Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H25ClFN3O2/c1-29-21-11-18(25)17(23)10-16(21)22(28)26-19-9-15-3-2-4-20(19)27(15)12-13-5-7-14(24)8-6-13/h5-8,10-11,15,19-20H,2-4,9,12,25H2,1H3,(H,26,28)/t15?,19-,20?/m0/s1
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0.0170n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042730
PNG
(4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:20:19:14.15.16:18.11.12,THB:10:11:14.15.16:19|
Show InChI InChI=1S/C24H28BrFN2O3/c1-30-22-11-16(25)10-21(23(22)31-2)24(29)27-18-12-19-4-3-5-20(13-18)28(19)14-15-6-8-17(26)9-7-15/h6-11,18-20H,3-5,12-14H2,1-2H3,(H,27,29)
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0.0200n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
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0.0280n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042733
PNG
((9-Benzyl-3,9-diaza-bicyclo[3.3.1]non-3-yl)-(5-bro...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N1CC2CCCC(C1)N2Cc1ccccc1 |TLB:10:12:15.16.17:20,21:20:15.16.17:19.12.13|
Show InChI InChI=1S/C22H26ClN3O2/c1-28-21-11-20(24)19(23)10-18(21)22(27)25-13-16-8-5-9-17(14-25)26(16)12-15-6-3-2-4-7-15/h2-4,6-7,10-11,16-17H,5,8-9,12-14,24H2,1H3
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0.0330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042732
PNG
(4-Amino-N-(9-benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1 |THB:12:13:21:16.18.17|
Show InChI InChI=1S/C23H28ClN3O2/c1-29-22-13-21(25)20(24)12-19(22)23(28)26-16-10-17-8-5-9-18(11-16)27(17)14-15-6-3-2-4-7-15/h2-4,6-7,12-13,16-18H,5,8-11,14,25H2,1H3,(H,26,28)
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0.0360n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50456208
PNG
(CHEMBL2112605)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
Show InChI InChI=1S/C24H30N2O3/c1-28-22-13-7-12-21(23(22)29-2)24(27)25-18-14-19-10-6-11-20(15-18)26(19)16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,25,27)
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0.0380n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042731
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-12-15(22)11-18(20(19)28-2)21(26)24-17-7-9-25(10-8-17)13-14-3-5-16(23)6-4-14/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,26)
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0.0700n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50040079
PNG
(CHEMBL308524 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50241107
PNG
(1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...)
Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
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0.200n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
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0.210n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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0.25n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM79172
PNG
(2-[4-[(3Z)-3-[2-(trifluoromethyl)-9-thioxanthenyli...)
Show SMILES OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
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0.25n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM84746
PNG
(BRL 34778 | BRL-34778)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 |THB:12:13:21:16.18.17|
Show InChI InChI=1S/C23H27ClFN3O2/c1-30-22-12-21(26)20(24)11-19(22)23(29)27-16-9-17-3-2-4-18(10-16)28(17)13-14-5-7-15(25)8-6-14/h5-8,11-12,16-18H,2-4,9-10,13,26H2,1H3,(H,27,29)/t16-,17-,18+
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0.280n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007514
PNG
(CHEMBL75842 | N-(1-Benzyl-piperidin-4-yl)-5-bromo-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H25BrN2O3/c1-26-19-13-16(22)12-18(20(19)27-2)21(25)23-17-8-10-24(11-9-17)14-15-6-4-3-5-7-15/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)
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0.310n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042725
PNG
(CHEMBL340471 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H25FN2O3/c1-26-19-5-3-4-18(20(19)27-2)21(25)23-17-10-12-24(13-11-17)14-15-6-8-16(22)9-7-15/h3-9,17H,10-14H2,1-2H3,(H,23,25)
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0.380n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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0.410n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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
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0.440n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042731
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-12-15(22)11-18(20(19)28-2)21(26)24-17-7-9-25(10-8-17)13-14-3-5-16(23)6-4-14/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,26)
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0.450n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007525
PNG
(CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
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0.630n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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0.710n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM81777
PNG
(CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
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0.810n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50042726
PNG
(4-Amino-5-chloro-N-[1-(4-fluoro-benzyl)-piperidin-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H23ClFN3O2/c1-27-19-11-18(23)17(21)10-16(19)20(26)24-15-6-8-25(9-7-15)12-13-2-4-14(22)5-3-13/h2-5,10-11,15H,6-9,12,23H2,1H3,(H,24,26)
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0.950n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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1.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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1.20n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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1.30n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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1.31n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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1.52n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50042730
PNG
(4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:20:19:14.15.16:18.11.12,THB:10:11:14.15.16:19|
Show InChI InChI=1S/C24H28BrFN2O3/c1-30-22-11-16(25)10-21(23(22)31-2)24(29)27-18-12-19-4-3-5-20(13-18)28(19)14-15-6-8-17(26)9-7-15/h6-11,18-20H,3-5,12-14H2,1-2H3,(H,27,29)
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3.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50026957
PNG
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)
Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
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3.25n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50368742
PNG
(CHEMBL1169525)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC2CCCC1N2Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H25ClFN3O2/c1-29-21-11-18(25)17(23)10-16(21)22(28)26-19-9-15-3-2-4-20(19)27(15)12-13-5-7-14(24)8-6-13/h5-8,10-11,15,19-20H,2-4,9,12,25H2,1H3,(H,26,28)/t15?,19-,20?/m0/s1
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3.70n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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4.56n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042725
PNG
(CHEMBL340471 | N-[1-(4-Fluoro-benzyl)-piperidin-4-...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H25FN2O3/c1-26-19-5-3-4-18(20(19)27-2)21(25)23-17-10-12-24(13-11-17)14-15-6-8-16(22)9-7-15/h3-9,17H,10-14H2,1-2H3,(H,23,25)
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5.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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6.40n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM84746
PNG
(BRL 34778 | BRL-34778)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 |THB:12:13:21:16.18.17|
Show InChI InChI=1S/C23H27ClFN3O2/c1-30-22-12-21(26)20(24)11-19(22)23(29)27-16-9-17-3-2-4-18(10-16)28(17)13-14-5-7-15(25)8-6-14/h5-8,11-12,16-18H,2-4,9-10,13,26H2,1H3,(H,27,29)/t16-,17-,18+
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>10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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10.4n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50241107
PNG
(1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazo...)
Show SMILES Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
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27.3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM81792
PNG
(CAS_5311190 | NSC_5311190 | UH232 | UH232(+))
Show SMILES CCCN(CCC)C1C=Cc2c(OC)cccc2C1C |c:8|
Show InChI InChI=1S/C18H27NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-11,14,17H,5-6,12-13H2,1-4H3
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36.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
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
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40.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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43.9n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Dopamine 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 |r|
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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46.8n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50456207
PNG
(CHEMBL2112607)
Show SMILES COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:19:18:13.14.15:17.10.11,THB:9:10:13.14.15:18|
Show InChI InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
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84n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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PubMed
88n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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89n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50042731
PNG
(5-Bromo-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-2,3...)
Show SMILES COc1cc(Br)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-12-15(22)11-18(20(19)28-2)21(26)24-17-7-9-25(10-8-17)13-14-3-5-16(23)6-4-14/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,24,26)
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94n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM81814
PNG
(5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...)
Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
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106n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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205n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
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