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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50012547   
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
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105635
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid [1-(2...)
Show SMILES CS(=O)(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C17H24ClN5O3S/c1-27(25,26)22-4-7-23-5-2-12(3-6-23)10-19-17(24)14-8-13(18)9-15-16(14)21-11-20-15/h8-9,11-12,22H,2-7,10H2,1H3,(H,19,24)(H,20,21)
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0.110n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105650
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-is...)
Show SMILES CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25ClN4O/c1-12(2)10-23-5-3-13(4-6-23)9-20-18(24)15-7-14(19)8-16-17(15)22-11-21-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,24)(H,21,22)
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0.290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105649
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-bu...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25ClN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
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0.320n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105640
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-pe...)
Show SMILES CCCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C19H27ClN4O/c1-2-3-4-7-24-8-5-14(6-9-24)12-21-19(25)16-10-15(20)11-17-18(16)23-13-22-17/h10-11,13-14H,2-9,12H2,1H3,(H,21,25)(H,22,23)
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0.540n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105653
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-but...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Br)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25BrN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
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0.640n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105648
PNG
(6-Chloro-1-methyl-1H-benzoimidazole-4-carboxylic a...)
Show SMILES CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3n(C)cnc23)CC1
Show InChI InChI=1S/C19H27ClN4O/c1-13(2)11-24-6-4-14(5-7-24)10-21-19(25)16-8-15(20)9-17-18(16)22-12-23(17)3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,25)
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2.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105647
PNG
(3-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES CS(=O)(=O)NCCN1CCC(COC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
Show InChI InChI=1S/C17H23ClN4O4S/c1-27(24,25)21-4-7-22-5-2-12(3-6-22)10-26-17(23)14-8-13(18)9-15-16(14)20-11-19-15/h8-9,11-12,21H,2-7,10H2,1H3,(H,19,20)
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2.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105642
PNG
(3-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
Show InChI InChI=1S/C18H24ClN3O2/c1-2-3-6-22-7-4-13(5-8-22)11-24-18(23)15-9-14(19)10-16-17(15)21-12-20-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,21)
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2.90n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105644
PNG
(1H-Benzoimidazole-4-carboxylic acid [1-(2-methanes...)
Show SMILES CS(=O)(=O)NCCN1CCC(CNC(=O)c2cccc3nc[nH]c23)CC1
Show InChI InChI=1S/C17H25N5O3S/c1-26(24,25)21-7-10-22-8-5-13(6-9-22)11-18-17(23)14-3-2-4-15-16(14)20-12-19-15/h2-4,12-13,21H,5-11H2,1H3,(H,18,23)(H,19,20)
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11.4n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105636
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-butyl-piper...)
Show SMILES CCCCN1CCC(CNC(=O)c2cccc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H26N4O/c1-2-3-9-22-10-7-14(8-11-22)12-19-18(23)15-5-4-6-16-17(15)21-13-20-16/h4-6,13-14H,2-3,7-12H2,1H3,(H,19,23)(H,20,21)
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13.7n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105646
PNG
(7-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)c3nc[nH]c23)CC1
Show InChI InChI=1S/C18H26ClN5O/c1-2-3-6-24-7-4-12(5-8-24)10-21-18(25)13-9-14(19)15(20)17-16(13)22-11-23-17/h9,11-12H,2-8,10,20H2,1H3,(H,21,25)(H,22,23)
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22.4n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105634
PNG
(1H-Benzoimidazole-4-carboxylic acid 1-butyl-piperi...)
Show SMILES CCCCN1CCC(COC(=O)c2cccc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25N3O2/c1-2-3-9-21-10-7-14(8-11-21)12-23-18(22)15-5-4-6-16-17(15)20-13-19-16/h4-6,13-14H,2-3,7-12H2,1H3,(H,19,20)
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24.6n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105633
PNG
(1H-Benzoimidazole-4-carboxylic acid 1-(2-methanesu...)
Show SMILES CS(=O)(=O)NCCN1CCC(COC(=O)c2cccc3nc[nH]c23)CC1
Show InChI InChI=1S/C17H24N4O4S/c1-26(23,24)20-7-10-21-8-5-13(6-9-21)11-25-17(22)14-3-2-4-15-16(14)19-12-18-15/h2-4,12-13,20H,5-11H2,1H3,(H,18,19)
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26.1n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105641
PNG
(7-Amino-6-bromo-1H-benzoimidazole-4-carboxylic aci...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Br)c(N)c3nc[nH]c23)CC1
Show InChI InChI=1S/C18H26BrN5O/c1-2-3-6-24-7-4-12(5-8-24)10-21-18(25)13-9-14(19)15(20)17-16(13)22-11-23-17/h9,11-12H,2-8,10,20H2,1H3,(H,21,25)(H,22,23)
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27.8n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105638
PNG
(6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)c([N+]([O-])=O)c3nc[nH]c23)CC1
Show InChI InChI=1S/C18H24ClN5O3/c1-2-3-6-23-7-4-12(5-8-23)10-20-18(25)13-9-14(19)17(24(26)27)16-15(13)21-11-22-16/h9,11-12H,2-8,10H2,1H3,(H,20,25)(H,21,22)
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44.6n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105652
PNG
(6-Bromo-7-nitro-1H-benzoimidazole-4-carboxylic aci...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Br)c([N+]([O-])=O)c3nc[nH]c23)CC1
Show InChI InChI=1S/C18H24BrN5O3/c1-2-3-6-23-7-4-12(5-8-23)10-20-18(25)13-9-14(19)17(24(26)27)16-15(13)21-11-22-16/h9,11-12H,2-8,10H2,1H3,(H,20,25)(H,21,22)
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48.2n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105630
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-me...)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(Cl)cc2nc[nH]c12
Show InChI InChI=1S/C14H17ClN4O/c1-19-4-2-10(3-5-19)18-14(20)11-6-9(15)7-12-13(11)17-8-16-12/h6-8,10H,2-5H2,1H3,(H,16,17)(H,18,20)
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54n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105631
PNG
(1-Benzyl-6-chloro-1H-benzoimidazole-4-carboxylic a...)
Show SMILES CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3n(Cc4ccccc4)cnc23)CC1
Show InChI InChI=1S/C25H31ClN4O/c1-18(2)15-29-10-8-19(9-11-29)14-27-25(31)22-12-21(26)13-23-24(22)28-17-30(23)16-20-6-4-3-5-7-20/h3-7,12-13,17-19H,8-11,14-16H2,1-2H3,(H,27,31)
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69.2n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105643
PNG
(7-Amino-1H-benzoimidazole-4-carboxylic acid (1-but...)
Show SMILES CCCCN1CCC(CNC(=O)c2ccc(N)c3nc[nH]c23)CC1
Show InChI InChI=1S/C18H27N5O/c1-2-3-8-23-9-6-13(7-10-23)11-20-18(24)14-4-5-15(19)17-16(14)21-12-22-17/h4-5,12-13H,2-3,6-11,19H2,1H3,(H,20,24)(H,21,22)
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115n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105645
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-butyl-piper...)
Show SMILES CCCCN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C17H24N4O/c1-2-3-9-21-10-7-13(8-11-21)20-17(22)14-5-4-6-15-16(14)19-12-18-15/h4-6,12-13H,2-3,7-11H2,1H3,(H,18,19)(H,20,22)
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290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105651
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-methyl-pipe...)
Show SMILES CN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C14H18N4O/c1-18-7-5-10(6-8-18)17-14(19)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)(H,17,19)
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719n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105639
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-propyl-pipe...)
Show SMILES CCCN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C16H22N4O/c1-2-8-20-9-6-12(7-10-20)19-16(21)13-4-3-5-14-15(13)18-11-17-14/h3-5,11-12H,2,6-10H2,1H3,(H,17,18)(H,19,21)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105637
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-ethyl-piper...)
Show SMILES CCN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C15H20N4O/c1-2-19-8-6-11(7-9-19)18-15(20)12-4-3-5-13-14(12)17-10-16-13/h3-5,10-11H,2,6-9H2,1H3,(H,16,17)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50105632
PNG
(1H-Benzoimidazole-4-carboxylic acid 1-methyl-piper...)
Show SMILES CN1CCC(CC1)OC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C14H17N3O2/c1-17-7-5-10(6-8-17)19-14(18)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair