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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50363291'   
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 3A


(Homo sapiens (Human))		BDBM50363291
PNG
(CHEMBL1945835)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCn1nc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C)c2ccccc12 |r,TLB:35:34:29.30.31:33.26.27|
Show InChI InChI=1S/C32H40N6O3S/c1-36(2)28-16-7-14-26-25(28)13-8-17-30(26)42(40,41)33-18-9-19-38-29-15-5-4-12-27(29)31(35-38)32(39)34-22-20-23-10-6-11-24(21-22)37(23)3/h4-5,7-8,12-17,22-24,33H,6,9-11,18-21H2,1-3H3,(H,34,39)/t23-,24-/m0/s1
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PC cid
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UniChem
Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting

Bioorg Med Chem Lett 22: 1151-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.097
BindingDB Entry DOI: 10.7270/Q237795K
More data for this
Ligand-Target Pair