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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = '5-HT4d' AND taxid = 9606   
Target
(Institution)
LigandTarget
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-HT4d


(HUMAN)
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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PubMed
0.0700n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by PDSP Ki Database




J Neurochem 70: 2252-61 (1998)

More data for this
Ligand-Target Pair
5-HT4d


(HUMAN)
BDBM50058173
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-((3S,5R)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1C[C@@H](C)C[C@@H](C)C1
Show InChI InChI=1S/C17H25ClN2O3/c1-11-6-12(2)10-20(9-11)4-5-23-17(21)13-7-14(18)15(19)8-16(13)22-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3/t11-,12+
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0.410n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by PDSP Ki Database




J Neurochem 70: 2252-61 (1998)

More data for this
Ligand-Target Pair
5-HT4d


(HUMAN)
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
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PubMed
3.69n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by PDSP Ki Database




J Neurochem 70: 2252-61 (1998)

More data for this
Ligand-Target Pair
5-HT4d


(HUMAN)
BDBM50007872
PNG
(3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...)
Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O
Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)
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38.9n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by PDSP Ki Database




J Neurochem 70: 2252-61 (1998)

More data for this
Ligand-Target Pair
5-HT4d


(HUMAN)
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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173n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by PDSP Ki Database




J Neurochem 70: 2252-61 (1998)

More data for this
Ligand-Target Pair
5-HT4d


(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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330n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by PDSP Ki Database




J Neurochem 70: 2252-61 (1998)

More data for this
Ligand-Target Pair
5-HT4d


(HUMAN)
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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553n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by PDSP Ki Database




J Neurochem 70: 2252-61 (1998)

More data for this
Ligand-Target Pair
5-HT4d


(HUMAN)
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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PubMed
3.60E+3n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by PDSP Ki Database




J Neurochem 70: 2252-61 (1998)

More data for this
Ligand-Target Pair