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Compile Data Set for Download or QSAR

Found 54 hits of ki for UniProtKB: P61168   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
D(2) dopamine receptor


(Mus musculus (Mouse))		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



Medical Research Service

Curated by PDSP Ki Database




Mol Pharmacol 39: 570-8 (1991)


BindingDB Entry DOI: 10.7270/Q26M359X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50008782
PNG
(CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
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 0.0500n/an/an/an/an/an/an/an/a



Medical Research Service

Curated by PDSP Ki Database




Mol Pharmacol 39: 570-8 (1991)


BindingDB Entry DOI: 10.7270/Q26M359X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 0.110n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 0.190n/an/an/an/an/an/an/an/a



Medical Research Service

Curated by PDSP Ki Database




Mol Pharmacol 39: 570-8 (1991)


BindingDB Entry DOI: 10.7270/Q26M359X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 0.210n/an/an/an/an/an/an/an/a



Medical Research Service

Curated by PDSP Ki Database




Mol Pharmacol 39: 570-8 (1991)


BindingDB Entry DOI: 10.7270/Q26M359X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 0.340n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 0.480n/an/an/an/an/an/an/an/a



Medical Research Service

Curated by PDSP Ki Database




Mol Pharmacol 39: 570-8 (1991)


BindingDB Entry DOI: 10.7270/Q26M359X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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 0.690n/an/an/an/an/an/an/an/a



Medical Research Service

Curated by PDSP Ki Database




Mol Pharmacol 39: 570-8 (1991)


BindingDB Entry DOI: 10.7270/Q26M359X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 0.840n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 0.900n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 1.30n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 2.60n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 4.10n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 4.60n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 4.80n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50016778
PNG
(1-Ethyl-2-[(2-methoxy-5-sulfamoyl-benzoylamino)-me...)
Show SMILES CC[S+]1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H22N2O4S2/c1-3-22-8-4-5-11(22)10-17-15(18)13-9-12(23(16,19)20)6-7-14(13)21-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2-,16,17,18,19,20)/p+1
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 5.20n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]- spiperone from D2 binding site in rat striatal membranes

J Med Chem 32: 874-80 (1989)


BindingDB Entry DOI: 10.7270/Q23B5Z48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 7.07n/an/an/an/an/an/an/an/a



Medical Research Service

Curated by PDSP Ki Database




Mol Pharmacol 39: 570-8 (1991)


BindingDB Entry DOI: 10.7270/Q26M359X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM22871
PNG
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
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 7.60n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50028421
PNG
(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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 7.80n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 14.4n/an/an/an/an/an/an/an/a



Medical Research Service

Curated by PDSP Ki Database




Mol Pharmacol 39: 570-8 (1991)


BindingDB Entry DOI: 10.7270/Q26M359X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50078561
PNG
(CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,23,28H,2-4,6,9-16H2,1H3
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 22n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Dopamine receptor D2

Bioorg Med Chem Lett 9: 1679-82 (1999)


BindingDB Entry DOI: 10.7270/Q2R210JP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM81985
PNG
(CAS_42239-60-1 | NSC_172286 | Tilozepine)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Cc2sccc12 |t:8|
Show InChI InChI=1S/C17H18ClN3S/c1-20-5-7-21(8-6-20)17-14-4-9-22-16(14)10-12-2-3-13(18)11-15(12)19-17/h2-4,9,11H,5-8,10H2,1H3
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 27n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM81774
PNG
(CAS_15676-16-1 | SULPIRIDE,(+) | Sulpiride-S | Sul...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |r|
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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 34n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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 56n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 65n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Synapse 25: 137-46 (1997)


Article DOI: 10.1002/(SICI)1098-2396(199702)25:2
BindingDB Entry DOI: 10.7270/Q2WH2NH6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 70n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 90n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 100n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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 112n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D2 using [3H]spiperone as radioligand in stably transfected NIH3T3 cells

Bioorg Med Chem Lett 11: 655-8 (2001)


BindingDB Entry DOI: 10.7270/Q2H994F8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		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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 204n/an/an/an/an/an/an/an/a



Medical Research Service

Curated by PDSP Ki Database




Mol Pharmacol 39: 570-8 (1991)


BindingDB Entry DOI: 10.7270/Q26M359X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50040241
PNG
(3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12 |t:8|
Show InChI InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3
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 245n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM186927
PNG
(US9079895, 19s)
Show SMILES C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12 |r|
Show InChI InChI=1S/C21H26N2O2/c1-2-7-19(8-3-1)25-17-20-16-22(14-15-24-20)12-13-23-11-10-18-6-4-5-9-21(18)23/h1-9,20H,10-17H2/t20-/m0/s1
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 342n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...

US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50088754
PNG
(CHEMBL274577 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-11-10-16-12-21(24)22(26)13-19(16)20(14-25)17-8-4-5-9-18(17)23(27)15-6-2-3-7-15;3*1-2;/h2-9,12-13,20,26H,10-11,14H2,1H3;3*1H;
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 549n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain

Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50088755
PNG
(5-(2-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1Br
Show InChI InChI=1S/C17H17BrClNO/c1-20-7-6-11-8-16(19)17(21)9-13(11)14(10-20)12-4-2-3-5-15(12)18/h2-5,8-9,14,21H,6-7,10H2,1H3
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 583n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain

Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM81873
PNG
(CAS_55397 | LY-171555 | NSC_55397 | QUINPIROLE)
Show SMILES CCCN1CCCC2Cc3[nH]ncc3CC12
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)
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 720n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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 726n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D2 using [3H]spiperone as radioligand in stably transfected NIH3T3 cells

Bioorg Med Chem Lett 11: 655-8 (2001)


BindingDB Entry DOI: 10.7270/Q2H994F8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM81986
PNG
(3-Methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES CN1CCc2cc(O)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3
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 840n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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 895n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM81775
PNG
(Sulpiride-R | Sulpiride-d | Sulpiride-high,(-) | S...)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |r|
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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 1.06E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Synapse 25: 137-46 (1997)


Article DOI: 10.1002/(SICI)1098-2396(199702)25:2
BindingDB Entry DOI: 10.7270/Q2WH2NH6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50088753
PNG
(5-(3-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C17H17BrClNO/c1-20-6-5-12-8-16(19)17(21)9-14(12)15(10-20)11-3-2-4-13(18)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3
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 1.12E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain

Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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 1.21E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain

Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM81775
PNG
(Sulpiride-R | Sulpiride-d | Sulpiride-high,(-) | S...)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |r|
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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 1.30E+3n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM81774
PNG
(CAS_15676-16-1 | SULPIRIDE,(+) | Sulpiride-S | Sul...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |r|
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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 1.47E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Synapse 25: 137-46 (1997)


Article DOI: 10.1002/(SICI)1098-2396(199702)25:2
BindingDB Entry DOI: 10.7270/Q2WH2NH6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM186935
PNG
(US9079895, 23s)
Show SMILES Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Show InChI InChI=1S/C21H25ClN2O2/c22-18-5-3-6-19(14-18)26-16-20-15-23(12-13-25-20)10-11-24-9-8-17-4-1-2-7-21(17)24/h1-7,14,20H,8-13,15-16H2/t20-/m0/s1
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 1.89E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...

US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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 1.95E+3n/an/an/an/an/an/an/an/a



Medical Research Service

Curated by PDSP Ki Database




Mol Pharmacol 39: 570-8 (1991)


BindingDB Entry DOI: 10.7270/Q26M359X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM81924
PNG
((R)-3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP(+/-)...)
Show SMILES CCCN1CCCC(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
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 5.62E+3n/an/an/an/an/an/an/an/a



Medical Research Service

Curated by PDSP Ki Database




Mol Pharmacol 39: 570-8 (1991)


BindingDB Entry DOI: 10.7270/Q26M359X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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PubMed
 9.30E+3n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM50088756
PNG
(CHEMBL427996 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(c1)C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O |c:27,t:25|
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-10-9-17-12-21(24)22(26)13-19(17)20(14-25)16-7-4-8-18(11-16)23(27)15-5-2-3-6-15;3*1-2;/h2-8,11-13,20,26H,9-10,14H2,1H3;3*1H;
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>1.00E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain

Bioorg Med Chem Lett 10: 1113-5 (2000)


BindingDB Entry DOI: 10.7270/Q21N81NF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM35920
PNG
(9,10-dihydroanthracene(DHA), 1a | 9-(Aminomethyl)-...)
Show SMILES NCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D2 using [3H]spiperone as radioligand in stably transfected NIH3T3 cells

Bioorg Med Chem Lett 11: 655-8 (2001)


BindingDB Entry DOI: 10.7270/Q2H994F8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))		BDBM186942
PNG
(US9079895, 27s)
Show SMILES Clc1cncc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Show InChI InChI=1S/C20H24ClN3O2/c21-17-11-18(13-22-12-17)26-15-19-14-23(9-10-25-19)7-8-24-6-5-16-3-1-2-4-20(16)24/h1-4,11-13,19H,5-10,14-15H2/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...

US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
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