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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50288588'   
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/3B


(Rattus norvegicus-RAT)		BDBM50288588
PNG
(2-(4-amino-2,3-dihydrobenzo[b]furan-7-ylcarboxamid...)
Show SMILES Nc1ccc(C(=O)N[C@H]2CN3CCC2CC3)c2OCCc12 |wD:8.7,(8.09,-10.5,;8.15,-8.96,;6.84,-8.16,;6.91,-6.61,;8.27,-5.92,;8.33,-4.38,;7.04,-3.56,;9.69,-3.65,;9.75,-2.13,;11.12,-1.42,;11.18,.11,;9.88,.95,;8.5,.22,;8.43,-1.32,;9.25,-.14,;9.91,-.78,;9.56,-6.73,;11.03,-6.32,;11.9,-7.59,;10.94,-8.8,;9.5,-8.27,)|
Show InChI InChI=1S/C16H21N3O2/c17-13-2-1-12(15-11(13)5-8-21-15)16(20)18-14-9-19-6-3-10(14)4-7-19/h1-2,10,14H,3-9,17H2,(H,18,20)/t14-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
 20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.

Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair