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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50007128   
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)
BDBM50007128
PNG
(1-Aminomethyl-3-phenethyl-isochroman-5,6-diol | CH...)
Show SMILES NC[C@@H]1OC(CCc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C18H21NO3/c19-11-17-14-8-9-16(20)18(21)15(14)10-13(22-17)7-6-12-4-2-1-3-5-12/h1-5,8-9,13,17,20-21H,6-7,10-11,19H2/t13?,17-/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
248n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007128
PNG
(1-Aminomethyl-3-phenethyl-isochroman-5,6-diol | CH...)
Show SMILES NC[C@@H]1OC(CCc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C18H21NO3/c19-11-17-14-8-9-16(20)18(21)15(14)10-13(22-17)7-6-12-4-2-1-3-5-12/h1-5,8-9,13,17,20-21H,6-7,10-11,19H2/t13?,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
670n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair