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BDBM50055731 3-{4-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]-cyclohexyl}-1H-indole::CHEMBL87003

SMILES: C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12

InChI Key: InChIKey=VSQWONPJPLALKE-PEPAQOBHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50055731   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50055731
PNG
(3-{4-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-eth...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,14.15,c:5,(13.37,-6.33,;14.69,-7.1,;16.03,-6.36,;17.35,-7.1,;18.69,-6.33,;18.67,-4.79,;17.32,-4.02,;16.01,-4.82,;20,-4.02,;21.33,-4.79,;22.66,-4.02,;22.64,-2.48,;21.32,-1.71,;19.98,-2.48,;12.03,-7.1,;12.02,-8.63,;10.71,-9.37,;9.37,-8.6,;9.37,-7.1,;10.71,-6.33,;8.09,-9.47,;8.02,-11.01,;6.54,-11.42,;5.68,-10.14,;4.15,-9.92,;3.6,-8.47,;4.58,-7.26,;6.09,-7.51,;6.65,-8.92,)|
Show InChI InChI=1S/C27H32N2/c1-2-6-22(7-3-1)23-15-18-29(19-16-23)17-14-21-10-12-24(13-11-21)26-20-28-27-9-5-4-8-25(26)27/h1-9,15,20-21,24,28H,10-14,16-19H2/t21-,24+
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Article
PubMed
 28n/an/an/an/an/an/an/an/a



Division of Warner Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement.

J Med Chem 40: 250-9 (1997)


Article DOI: 10.1021/jm960597m
BindingDB Entry DOI: 10.7270/Q28W3CD4
More data for this
Ligand-Target Pair