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BDBM50020141 4-{4-[4-(6-chloro-3-pyridazinyl)hexahydro-1-pyrazinyl]butyl}-4-azatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5-dione;Hydrochloride::CHEMBL424409

SMILES: Clc1ccc(nn1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1

InChI Key: InChIKey=GMXNKMCRRWILFB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020141   
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))		BDBM50020141
PNG
(4-{4-[4-(6-chloro-3-pyridazinyl)hexahydro-1-pyrazi...)
Show SMILES Clc1ccc(nn1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1 |c:22,(16.79,-27.32,;15.48,-26.56,;14.14,-27.32,;12.82,-26.55,;12.82,-25.01,;14.16,-24.25,;15.48,-25.03,;11.5,-24.22,;10.16,-24.99,;8.84,-24.22,;8.85,-22.71,;7.53,-21.94,;6.19,-22.71,;4.85,-21.94,;3.53,-22.71,;2.19,-21.94,;2.03,-20.41,;3.17,-19.38,;.52,-20.08,;-.25,-21.43,;-1.79,-21.44,;-.47,-20.66,;-1.56,-19.57,;-.25,-18.75,;-1.79,-18.75,;-3.13,-17.98,;-3.9,-19.31,;-2.56,-20.09,;.78,-22.56,;.46,-24.06,;10.16,-21.92,;11.51,-22.69,)|
Show InChI InChI=1S/C24H30ClN5O2/c25-19-7-8-20(27-26-19)29-13-11-28(12-14-29)9-1-2-10-30-23(31)21-17-5-6-18(22(21)24(30)32)16-4-3-15(16)17/h5-8,15-18,21-22H,1-4,9-14H2
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Similars
PubMed
 1.93E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue

J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair