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BDBM50443096 CHEMBL3085824

SMILES: CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1

InChI Key: InChIKey=LDQCWGIXZGDJNL-HDICACEKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443096   
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


(Homo sapiens (Human))		BDBM50443096
PNG
(CHEMBL3085824)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:11.11,8.7,(46.33,-48.72,;44.99,-47.94,;45,-46.4,;46.32,-47.16,;43.66,-48.71,;42.33,-47.94,;42.33,-46.4,;40.99,-48.71,;39.66,-47.94,;39.66,-46.4,;38.32,-45.62,;37,-46.39,;35.66,-45.63,;34.33,-46.4,;32.99,-45.63,;31.65,-46.41,;30.31,-45.64,;30.3,-44.09,;31.64,-43.3,;32.99,-44.08,;28.96,-43.33,;27.64,-44.11,;26.31,-43.35,;26.29,-41.81,;27.62,-41.03,;27.61,-39.49,;28.96,-41.79,;30.29,-41.01,;37,-47.94,;38.32,-48.71,)|
Show InChI InChI=1S/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)/t17-,18+
PDB

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Similars
Article
PubMed
 33n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis

J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair