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BDBM50230549 CHEMBL366617

SMILES: [H][C@]12CCCC[C@@]1([H])c1cc(Cl)cc(C(=O)N[C@]3([H])CN4CCC3CC4)c1O2

InChI Key: InChIKey=LDYMIBZOCSHLBG-QGTPRVQTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230549   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)		BDBM50230549
PNG
(CHEMBL366617)
Show SMILES [H][C@]12CCCC[C@@]1([H])c1cc(Cl)cc(C(=O)N[C@]3([H])CN4CCC3CC4)c1O2 |wU:17.18,1.0,6.7,THB:16:17:22.21:24.25,(11.06,-6.05,;10.27,-4.72,;11.81,-4.53,;12.41,-3.11,;11.49,-1.89,;9.95,-2.08,;9.36,-3.48,;8.59,-2.15,;7.89,-3.99,;6.56,-3.2,;5.23,-3.99,;3.88,-3.23,;5.23,-5.53,;6.58,-6.3,;6.56,-7.82,;5.23,-8.59,;7.89,-8.62,;7.91,-10.15,;9.22,-9.36,;9.24,-10.9,;9.25,-12.44,;8.1,-12.44,;8.1,-10.9,;6.59,-10.9,;6.58,-12.47,;7.92,-13.21,;7.91,-5.53,;9.39,-5.98,)|
Show InChI InChI=1S/C20H25ClN2O2/c21-13-9-15-14-3-1-2-4-18(14)25-19(15)16(10-13)20(24)22-17-11-23-7-5-12(17)6-8-23/h9-10,12,14,17-18H,1-8,11H2,(H,22,24)/t14-,17+,18-/m0/s1
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PubMed
 0.170n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.

J Med Chem 35: 903-11 (1992)


BindingDB Entry DOI: 10.7270/Q20004BR
More data for this
Ligand-Target Pair