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PubMed code 3828800

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
D(2) 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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 0.300n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) 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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 0.700n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50019957
PNG
(5-Ethanesulfonyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
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 2.40n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) 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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 3.10n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
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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 3.10n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) 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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 8.30n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) 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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 12n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50339137
PNG
(CHEMBL1323355 | Dextromepromazine | Levomepromazin...)
Show SMILES COc1ccc2Sc3ccccc3N(C[C@@H](C)CN(C)C)c2c1
Show InChI InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m0/s1
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 15n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM48320
PNG
(4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...)
Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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 19n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
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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 23n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) 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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 27n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM82073
PNG
(CAS_51012-32-9 | NSC_5467 | Tiapride)
Show SMILES CCN(CC)CCNC(=O)c1cc(ccc1OC)S(C)(=O)=O
Show InChI InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
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 77n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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 158n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		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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 211n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
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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 518n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM35256
PNG
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)
Show SMILES [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1
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 879n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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 8.79E+3n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%