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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'strange' and Initial = 'pg'   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.380n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
D(2) 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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0.530n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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1n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(2) dopamine 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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1.20n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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1.30n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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1.60n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(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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2.30n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(3) dopamine 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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2.30n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM11638
PNG
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=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)
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2.5n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(3) 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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2.70n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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3.76n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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3.85n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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3.98n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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6.70n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
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6.90n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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7.5n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM82479
PNG
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE | USRE4934...)
Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
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7.5n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM11638
PNG
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=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)
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8n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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9.70n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(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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10n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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10.1n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM82479
PNG
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE | USRE4934...)
Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
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15n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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17.2n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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17.5n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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21.1n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(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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22n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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22.2n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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24.6n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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27.1n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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33.3n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
D(2) 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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35n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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45.2n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM82479
PNG
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE | USRE4934...)
Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
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49n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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54n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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61.1n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
D(3) 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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83n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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102n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50095890
PNG
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
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105n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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212n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50095890
PNG
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
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340n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
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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370n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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Article
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411n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
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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680n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


Article DOI: 10.1016/0006-2952(93)90243-p
BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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969n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50095890
PNG
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
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2.00E+3n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(RAT)
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



University of Reading

Curated by PDSP Ki Database




Pharmacol Rev 53: 119-33 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2MJX
More data for this
Ligand-Target Pair
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