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SMILES: C(CN1CCN(CC1)c1ncccn1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12

InChI Key: InChIKey=NHQJFVWHLAYQQH-MXVIHJGJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50055722   
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))		BDBM50055722
PNG
(3-{4-[2-(4-Pyrimidin-2-yl-piperazin-1-yl)-ethyl]-c...)
Show SMILES C(CN1CCN(CC1)c1ncccn1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |wU:17.22,wD:14.15,(13.38,-6.36,;14.7,-7.13,;16.04,-6.36,;16.02,-4.82,;17.34,-4.05,;18.68,-4.79,;18.7,-6.36,;17.37,-7.13,;20.02,-4.02,;20,-2.48,;21.34,-1.71,;22.66,-2.48,;22.68,-4.02,;21.35,-4.79,;12.04,-7.1,;10.72,-6.33,;9.38,-7.1,;9.38,-8.64,;10.72,-9.41,;12.03,-8.64,;8.1,-9.48,;8.03,-11.05,;6.54,-11.43,;5.69,-10.15,;4.15,-9.92,;3.6,-8.48,;4.59,-7.29,;6.1,-7.52,;6.65,-8.96,)|
Show InChI InChI=1S/C24H31N5/c1-2-5-23-21(4-1)22(18-27-23)20-8-6-19(7-9-20)10-13-28-14-16-29(17-15-28)24-25-11-3-12-26-24/h1-5,11-12,18-20,27H,6-10,13-17H2/t19-,20-
PDB

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 161n/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