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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 7' and Ligand = 'BDBM50026066'   
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 7


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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Article
PubMed
280n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7A receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1403-10 (1994)


BindingDB Entry DOI: 10.7270/Q2154FJQ
More data for this
Ligand-Target Pair