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BDBM50443102 CHEMBL3085819

SMILES: CC(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3C2)C#N)CC1

InChI Key: InChIKey=MDNAENMGHFQWFO-UKIBZPOASA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443102   
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))		BDBM50443102
PNG
(CHEMBL3085819)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3C2)C#N)CC1 |r,wU:4.3,wD:7.7,(83.78,-17.14,;82.45,-16.37,;82.45,-14.83,;81.11,-17.14,;79.78,-16.37,;78.44,-17.13,;77.12,-16.37,;77.12,-14.82,;75.78,-14.05,;74.45,-14.83,;73.12,-14.06,;73.11,-12.51,;71.76,-11.73,;70.43,-12.52,;69.09,-11.76,;67.76,-12.53,;67.76,-14.07,;69.1,-14.84,;70.43,-14.07,;71.77,-14.84,;66.43,-14.84,;65.1,-15.61,;78.44,-14.05,;79.78,-14.83,)|
Show InChI InChI=1S/C20H27N3O/c1-15(24)22-20-6-3-16(4-7-20)8-10-23-11-9-18-5-2-17(13-21)12-19(18)14-23/h2,5,12,16,20H,3-4,6-11,14H2,1H3,(H,22,24)/t16-,20-
PDB

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Similars
Article
PubMed
 23n/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