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SMILES: NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C1CCCCC1

InChI Key: InChIKey=BOKASTZDGGZFET-GJZGRUSLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50008832   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(1A) dopamine receptor


(RAT)
BDBM50008832
PNG
(1-Aminomethyl-3-cyclohexyl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C16H23NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h6-7,10,14-15,18-19H,1-5,8-9,17H2/t14-,15-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
5.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50008832
PNG
(1-Aminomethyl-3-cyclohexyl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C16H23NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h6-7,10,14-15,18-19H,1-5,8-9,17H2/t14-,15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.12E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2


J Med Chem 34: 2946-53 (1991)


BindingDB Entry DOI: 10.7270/Q2H132MN
More data for this
Ligand-Target Pair