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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 = 'BDBM50391402'   
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))		BDBM50391402
PNG
(CHEMBL2146505)
Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc2ccccc12)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:26.28,6.5,(-2.4,-4.56,;-2.38,-3.01,;-3.71,-2.23,;-3.7,-.69,;-2.36,.07,;-1.03,-.71,;.31,.05,;1.64,-.75,;2.98,.01,;3,1.55,;1.67,2.33,;.32,1.58,;4.34,2.3,;5.66,1.52,;6.42,.19,;4.89,.19,;7.01,2.27,;7.03,3.8,;8.37,4.56,;9.7,3.76,;9.68,2.22,;10.99,1.42,;10.96,-.11,;9.61,-.86,;8.29,-.06,;8.32,1.47,;-4.96,.19,;-4.5,1.66,;-5.53,2.79,;-7.03,2.46,;-8.28,3.36,;-9.52,2.44,;-10.99,2.91,;-9.04,.98,;-7.49,.99,;-6.46,-.13,)|
Show InChI InChI=1S/C28H38N4O2S2/c1-2-17-32(23-14-15-25-26(19-23)35-28(29)30-25)18-16-20-10-12-22(13-11-20)31-36(33,34)27-9-5-7-21-6-3-4-8-24(21)27/h3-9,20,22-23,31H,2,10-19H2,1H3,(H2,29,30)/t20-,22-,23-/m0/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.5n/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 rat brain homogenates

Bioorg Med Chem Lett 22: 5612-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.003
BindingDB Entry DOI: 10.7270/Q2V69KPV
More data for this
Ligand-Target Pair