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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 = 'BDBM50016465'   
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


(Rattus norvegicus (Rat))		BDBM50016465
PNG
(CHEMBL3265061)
Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1ccccc1 |r,wU:26.30,9.11,6.6,wD:24.26,(23.51,-32.96,;23.5,-31.42,;22.17,-30.66,;22.16,-29.12,;23.49,-28.34,;24.83,-29.1,;26.16,-28.32,;26.55,-29.8,;27.64,-28.72,;28.03,-27.23,;26.54,-26.84,;29.36,-26.46,;30.7,-27.22,;30.7,-28.76,;32.03,-26.44,;32.01,-24.91,;33.33,-24.13,;34.68,-24.89,;36,-24.12,;37.33,-24.87,;37.35,-26.42,;36.02,-27.19,;34.68,-26.43,;33.36,-27.21,;20.82,-28.35,;20.05,-27.02,;19.28,-28.36,;17.95,-29.14,;16.62,-28.37,;15.29,-29.14,;15.29,-30.69,;16.62,-31.46,;17.96,-30.69,)|
Show InChI InChI=1S/C29H34N2O2/c1-2-15-31(27-18-26(27)22-9-4-3-5-10-22)16-14-29(33)19-25(20-29)30-28(32)24-13-12-21-8-6-7-11-23(21)17-24/h3-13,17,25-27,33H,2,14-16,18-20H2,1H3,(H,30,32)/t25-,26-,27+,29+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 108n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins

J Med Chem 57: 4962-8 (2014)


Article DOI: 10.1021/jm401798r
BindingDB Entry DOI: 10.7270/Q2BV7J5V
More data for this
Ligand-Target Pair