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BDBM50012995 6-(2,2,2-Trifluoro-ethyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol; hydrochloride::CHEMBL555049

SMILES: Oc1ccc2C[C@H]3N(CC(F)(F)F)CCc4cccc(c34)-c2c1O

InChI Key: InChIKey=RBPGCCWXYDPSBT-CYBMUJFWSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50012995   
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)
BDBM50012995
PNG
(6-(2,2,2-Trifluoro-ethyl)-5,6,6a,7-tetrahydro-4H-d...)
Show SMILES Oc1ccc2C[C@H]3N(CC(F)(F)F)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C18H16F3NO2/c19-18(20,21)9-22-7-6-10-2-1-3-12-15(10)13(22)8-11-4-5-14(23)17(24)16(11)12/h1-5,13,23-24H,6-9H2/t13-/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Dopamine receptor D1 affinity was tested in vitro against corpus striatum from rat brain membranes


J Med Chem 33: 39-44 (1990)


BindingDB Entry DOI: 10.7270/Q2183732
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50012995
PNG
(6-(2,2,2-Trifluoro-ethyl)-5,6,6a,7-tetrahydro-4H-d...)
Show SMILES Oc1ccc2C[C@H]3N(CC(F)(F)F)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C18H16F3NO2/c19-18(20,21)9-22-7-6-10-2-1-3-12-15(10)13(22)8-11-4-5-14(23)17(24)16(11)12/h1-5,13,23-24H,6-9H2/t13-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity was tested in vitro against Dopamine receptor from rat brain membranes with [3H]ADT-6,7-dihydroxy-2-aminotetralin]


J Med Chem 33: 39-44 (1990)


BindingDB Entry DOI: 10.7270/Q2183732
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50012995
PNG
(6-(2,2,2-Trifluoro-ethyl)-5,6,6a,7-tetrahydro-4H-d...)
Show SMILES Oc1ccc2C[C@H]3N(CC(F)(F)F)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C18H16F3NO2/c19-18(20,21)9-22-7-6-10-2-1-3-12-15(10)13(22)8-11-4-5-14(23)17(24)16(11)12/h1-5,13,23-24H,6-9H2/t13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Dopamine receptor D2 affinity was tested in vitro against corpus striatum from rat brain membranes


J Med Chem 33: 39-44 (1990)


BindingDB Entry DOI: 10.7270/Q2183732
More data for this
Ligand-Target Pair