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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 = 'BDBM50053416'   
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))		BDBM50053416
PNG
(CHEMBL3317465)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCc1cn(CCOCCOCCOCCn2cc(CCC(=O)OC3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)c3ccc(Cl)cc3)nn2)nn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C60H70Cl2F2N8O9/c61-49-13-9-47(10-14-49)59(25-31-69(32-26-59)29-1-3-55(73)45-5-17-51(63)18-6-45)80-57(75)23-21-53-43-71(67-65-53)35-37-77-39-41-79-42-40-78-38-36-72-44-54(66-68-72)22-24-58(76)81-60(48-11-15-50(62)16-12-48)27-33-70(34-28-60)30-2-4-56(74)46-7-19-52(64)20-8-46/h5-20,43-44H,1-4,21-42H2
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Similars
Article
PubMed
 9.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor stably expressed in CHO cell membranes by competitive binding assay

Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
More data for this
Ligand-Target Pair