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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 = 'BDBM50216339'   
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))		BDBM50216339
PNG
(CHEMBL2111591)
Show SMILES [H][C@]12CCc3c(OC)cccc3[C@]1([H])CCCN2CCCCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c1-35-30-13-7-11-26-27-12-8-22-33(29(27)19-18-28(26)30)21-6-5-20-32-31(34)25-16-14-24(15-17-25)23-9-3-2-4-10-23/h2-4,7,9-11,13-17,27,29H,5-6,8,12,18-22H2,1H3,(H,32,34)/t27-,29-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
 7.90n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D3 expressed in CHO cells by [125I]iodosulpiride displacement.

Bioorg Med Chem Lett 8: 2859-64 (1998)


BindingDB Entry DOI: 10.7270/Q2319Z1B
More data for this
Ligand-Target Pair