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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 = 'BDBM50288583'   
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)		BDBM50288583
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2 |wU:13.14,(6.36,-10.16,;7.71,-9.4,;9.02,-10.2,;10.36,-9.5,;11.82,-10.04,;12.78,-8.83,;11.92,-7.54,;10.43,-7.96,;9.13,-7.14,;7.77,-7.85,;9.2,-5.61,;7.9,-4.79,;10.56,-4.88,;10.61,-3.34,;11.99,-2.64,;12.06,-1.08,;10.75,-.26,;9.38,-.98,;9.31,-2.54,;10.13,-1.35,;10.77,-1.99,)|
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
 1n/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