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Compile Data Set for Download or QSAR

Found 3 hits of Enz. Inhib. data with enzyme = '5-hydroxytryptamine receptor 4 (5-HT4)' and Substrate = 'BDBM10852'   
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
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29532
PNG
((1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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PC sid
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Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



CNRS



Assay Description
EC/IC50 was the effective concentration of agonist inhibiting the formation of A-beta fibrils to 50% of the control value. Three independent measurem...


J Med Chem 52: 2214-25 (2009)


Article DOI: 10.1021/jm801327q
BindingDB Entry DOI: 10.7270/Q2QF8R6F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29529
PNG
(ML10302 scaffold, 14)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCNCCCc1ccc(CCCNCCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1
Show InChI InChI=1S/C50H72Cl2N8O8/c1-65-45-33-43(53)41(51)31-39(45)49(63)67-29-27-59-23-15-37(16-24-59)57-47(61)9-5-21-55-19-3-7-35-11-13-36(14-12-35)8-4-20-56-22-6-10-48(62)58-38-17-25-60(26-18-38)28-30-68-50(64)40-32-42(52)44(54)34-46(40)66-2/h11-14,31-34,37-38,55-56H,3-10,15-30,53-54H2,1-2H3,(H,57,61)(H,58,62)
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 9.00E+3n/an/an/an/a



CNRS



Assay Description
EC/IC50 was the effective concentration of agonist inhibiting the formation of A-beta fibrils to 50% of the control value. Three independent measurem...


J Med Chem 52: 2214-25 (2009)


Article DOI: 10.1021/jm801327q
BindingDB Entry DOI: 10.7270/Q2QF8R6F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29528
PNG
(ML10302 scaffold, 9{a;y})
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C33H38ClN5O6/c1-44-28-19-27(36)25(34)18-24(28)33(43)45-17-16-38-14-11-20(12-15-38)37-29(40)8-3-2-4-13-39-31(41)22-7-5-6-21-26(35)10-9-23(30(21)22)32(39)42/h5-7,9-10,18-20H,2-4,8,11-17,35-36H2,1H3,(H,37,40)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/an/an/a



CNRS



Assay Description
EC/IC50 was the effective concentration of agonist inhibiting the formation of A-beta fibrils to 50% of the control value. Three independent measurem...


J Med Chem 52: 2214-25 (2009)


Article DOI: 10.1021/jm801327q
BindingDB Entry DOI: 10.7270/Q2QF8R6F
More data for this
Ligand-Target Pair