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BDBM50067816 9-(3-Bromo-phenyl)-7-ethyl-6,7,8,9-tetrahydro-5H-10-thia-7-aza-benzo[a]azulene::CHEMBL139081

SMILES: CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(Br)c1

InChI Key: InChIKey=AZJLNNJMUCJPAO-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 50067816   
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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50067816
PNG
(9-(3-Bromo-phenyl)-7-ethyl-6,7,8,9-tetrahydro-5H-1...)
Show SMILES CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C20H20BrNS/c1-2-22-11-10-17-16-8-3-4-9-19(16)23-20(17)18(13-22)14-6-5-7-15(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3
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Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against dopamine transporter using WIN-35428 as radioligand


J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50067816
PNG
(9-(3-Bromo-phenyl)-7-ethyl-6,7,8,9-tetrahydro-5H-1...)
Show SMILES CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C20H20BrNS/c1-2-22-11-10-17-16-8-3-4-9-19(16)23-20(17)18(13-22)14-6-5-7-15(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3
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Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against serotonin transporter using RTI-55 as radioligand


J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50067816
PNG
(9-(3-Bromo-phenyl)-7-ethyl-6,7,8,9-tetrahydro-5H-1...)
Show SMILES CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C20H20BrNS/c1-2-22-11-10-17-16-8-3-4-9-19(16)23-20(17)18(13-22)14-6-5-7-15(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3
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Article
PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-69593 as radioligand


J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50067816
PNG
(9-(3-Bromo-phenyl)-7-ethyl-6,7,8,9-tetrahydro-5H-1...)
Show SMILES CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C20H20BrNS/c1-2-22-11-10-17-16-8-3-4-9-19(16)23-20(17)18(13-22)14-6-5-7-15(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against Dopamine receptor D3 in ventral striatum using [3H](+)-7-OH-DPAT as radioligand


J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50067816
PNG
(9-(3-Bromo-phenyl)-7-ethyl-6,7,8,9-tetrahydro-5H-1...)
Show SMILES CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C20H20BrNS/c1-2-22-11-10-17-16-8-3-4-9-19(16)23-20(17)18(13-22)14-6-5-7-15(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Relative affinity for Dopamine receptor D1 in striatum using [3H]SCH-23390


J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50067816
PNG
(9-(3-Bromo-phenyl)-7-ethyl-6,7,8,9-tetrahydro-5H-1...)
Show SMILES CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C20H20BrNS/c1-2-22-11-10-17-16-8-3-4-9-19(16)23-20(17)18(13-22)14-6-5-7-15(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Relative affinity against Opioid receptor mu 1 in thalamus using [3H]DAMGO as radioligand


J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50067816
PNG
(9-(3-Bromo-phenyl)-7-ethyl-6,7,8,9-tetrahydro-5H-1...)
Show SMILES CCN1CCc2c(sc3ccccc23)C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C20H20BrNS/c1-2-22-11-10-17-16-8-3-4-9-19(16)23-20(17)18(13-22)14-6-5-7-15(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
relative affinity against Dopamine receptor D2 in striatum using [3H]YM-09151-2 as radioligand


J Med Chem 41: 4486-91 (1998)


Article DOI: 10.1021/jm980156y
BindingDB Entry DOI: 10.7270/Q2708230
More data for this
Ligand-Target Pair