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BDBM50007423 (R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol::6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol; hydrobromide::CHEMBL318111::CHEMBL542493::cid_11957524

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

InChI Key: InChIKey=XEXUKNQDDPKEIF-OAHLLOKOSA-N

Data: 6 KI  2 EC50

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 8 hits for monomerid = 50007423   
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(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007423
PNG
((R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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PubMed
0.240n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit Dopamine receptor D2 in rat striatum using [3H]spiperone


J Med Chem 34: 24-8 (1991)


BindingDB Entry DOI: 10.7270/Q24Q7VKQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007423
PNG
((R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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0.240n/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
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50007423
PNG
((R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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4.20n/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
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50007423
PNG
((R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit Striatal Dopamine receptor in rat brain through radioreceptor assay carried out with agonist ligand...


J Med Chem 34: 24-8 (1991)


BindingDB Entry DOI: 10.7270/Q24Q7VKQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007423
PNG
((R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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PubMed
615n/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
D(1A) dopamine receptor


(RAT)
BDBM50007423
PNG
((R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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617n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit Dopamine receptor D1 in rat striatum using [3H]SCH-23390


J Med Chem 34: 24-8 (1991)


BindingDB Entry DOI: 10.7270/Q24Q7VKQ
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM50007423
PNG
((R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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PCBioAssay
n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM50007423
PNG
((R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qui...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
Show InChI InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair