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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50016792'   
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(1A) dopamine receptor


(RAT)		BDBM50016792
PNG
(8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES CN1CCc2cc(Br)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
PDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/a 2.30n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the binding affinity to the rat striatal homogenate.

J Med Chem 32: 1431-5 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1WWT
More data for this
Ligand-Target Pair