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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50167930'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50167930
PNG
(2-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0...)
Show SMILES [Fe]123456789C%10=C1C2=C3C4%10CC(=O)NCCCCN1CCN(c2c(cccc2)OC)CC1.C51=C6C7C8=C91 |c:1,5,35,41,(-2.12,-1.46,;.2,-1.15,;-.88,-1.51,;-1.56,-.59,;-.89,.33,;.2,-.01,;1.53,.75,;2.86,-.02,;2.86,-1.58,;4.2,.76,;5.54,-.01,;6.88,.77,;8.22,.02,;9.55,.79,;10.89,.02,;10.9,-1.53,;12.24,-2.29,;13.57,-1.51,;14.91,-2.28,;16.24,-1.51,;17.58,-2.28,;17.58,-3.82,;16.24,-4.59,;14.91,-3.82,;16.24,.04,;17.58,.81,;13.58,.02,;12.22,.8,;-2.57,-2.75,;-3.22,-3.66,;-4.3,-3.31,;-4.3,-2.18,;-3.23,-1.82,)|
Show InChI InChI=1S/C22H26N3O2.C5H.Fe/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)13-7-6-12-23-22(26)18-19-8-2-3-9-19;1-2-4-5-3-1;/h4-5,10-11H,6-7,12-18H2,1H3,(H,23,26);1H;
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 2n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells

J Med Chem 48: 3696-9 (2005)


Article DOI: 10.1021/jm050170s
BindingDB Entry DOI: 10.7270/Q20K29BF
More data for this
Ligand-Target Pair