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PubMed code 9225293

Compile data set for download or QSAR
Found 47 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
HTR4


(RAT)
BDBM82505
PNG
(CAS_121881 | NSC_121881 | SB204070)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82505
PNG
(CAS_121881 | NSC_121881 | SB204070)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM85135
PNG
(RS 57639)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CCc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C24H29ClN2O5/c1-29-22-14-20(26)19(25)13-18(22)24(28)32-15-17-5-8-27(9-6-17)7-4-16-2-3-21-23(12-16)31-11-10-30-21/h2-3,12-14,17H,4-11,15,26H2,1H3
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1.25n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM85135
PNG
(RS 57639)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CCc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C24H29ClN2O5/c1-29-22-14-20(26)19(25)13-18(22)24(28)32-15-17-5-8-27(9-6-17)7-4-16-2-3-21-23(12-16)31-11-10-30-21/h2-3,12-14,17H,4-11,15,26H2,1H3
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1.25n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82505
PNG
(CAS_121881 | NSC_121881 | SB204070)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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1.25n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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1.99n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM85135
PNG
(RS 57639)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CCc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C24H29ClN2O5/c1-29-22-14-20(26)19(25)13-18(22)24(28)32-15-17-5-8-27(9-6-17)7-4-16-2-3-21-23(12-16)31-11-10-30-21/h2-3,12-14,17H,4-11,15,26H2,1H3
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2.51n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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3.16n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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3.98n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
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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7.94n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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10n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50056404
PNG
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)
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15.8n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50056401
PNG
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)
Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
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19.9n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50056401
PNG
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)
Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
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19.9n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50056401
PNG
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)
Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
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25.1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82422
PNG
(CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)
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25.1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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39.8n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50056404
PNG
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)
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50.1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50007863
PNG
(6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...)
Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1
Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)
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63.1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50007863
PNG
(6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...)
Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1
Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)
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79.4n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50056404
PNG
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)
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79.4n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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79.4n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50007871
PNG
(CHEMBL8197 | ICS 205-930 | TROPISETRON)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
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100n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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100n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
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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126n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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126n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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158n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50007863
PNG
(6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...)
Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1
Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)
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158n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
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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200n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82422
PNG
(CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)
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251n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50007871
PNG
(CHEMBL8197 | ICS 205-930 | TROPISETRON)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
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251n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82422
PNG
(CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)
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251n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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316n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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316n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM81781
PNG
(5-HT,a-Me | 5-HT,omega-N-Me)
Show SMILES Cn1cc(CCN)c2cc(O)ccc12
Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3
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398n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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501n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50007871
PNG
(CHEMBL8197 | ICS 205-930 | TROPISETRON)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
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501n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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1.00E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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1.26E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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1.26E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM81781
PNG
(5-HT,a-Me | 5-HT,omega-N-Me)
Show SMILES Cn1cc(CCN)c2cc(O)ccc12
Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3
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2.51E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
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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3.16E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
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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5.01E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM81781
PNG
(5-HT,a-Me | 5-HT,omega-N-Me)
Show SMILES Cn1cc(CCN)c2cc(O)ccc12
Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3
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5.01E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9


BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%