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BDBM50184437 1,3-Dichloro-2-methoxy-7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecine::CHEMBL203734

SMILES: COc1c(Cl)cc2CCN(C)CCc3ccccc3Cc2c1Cl

InChI Key: InChIKey=MYFHADFSNRZMLH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50184437   
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


(Homo sapiens (Human))
BDBM50184437
PNG
(1,3-Dichloro-2-methoxy-7-methyl-5,6,7,8,9,14-hexah...)
Show SMILES COc1c(Cl)cc2CCN(C)CCc3ccccc3Cc2c1Cl
Show InChI InChI=1S/C19H21Cl2NO/c1-22-9-7-13-5-3-4-6-14(13)11-16-15(8-10-22)12-17(20)19(23-2)18(16)21/h3-6,12H,7-11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D2L dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50184437
PNG
(1,3-Dichloro-2-methoxy-7-methyl-5,6,7,8,9,14-hexah...)
Show SMILES COc1c(Cl)cc2CCN(C)CCc3ccccc3Cc2c1Cl
Show InChI InChI=1S/C19H21Cl2NO/c1-22-9-7-13-5-3-4-6-14(13)11-16-15(8-10-22)12-17(20)19(23-2)18(16)21/h3-6,12H,7-11H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25.3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from D1 dopamine receptor


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50184437
PNG
(1,3-Dichloro-2-methoxy-7-methyl-5,6,7,8,9,14-hexah...)
Show SMILES COc1c(Cl)cc2CCN(C)CCc3ccccc3Cc2c1Cl
Show InChI InChI=1S/C19H21Cl2NO/c1-22-9-7-13-5-3-4-6-14(13)11-16-15(8-10-22)12-17(20)19(23-2)18(16)21/h3-6,12H,7-11H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
34n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D1 dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50184437
PNG
(1,3-Dichloro-2-methoxy-7-methyl-5,6,7,8,9,14-hexah...)
Show SMILES COc1c(Cl)cc2CCN(C)CCc3ccccc3Cc2c1Cl
Show InChI InChI=1S/C19H21Cl2NO/c1-22-9-7-13-5-3-4-6-14(13)11-16-15(8-10-22)12-17(20)19(23-2)18(16)21/h3-6,12H,7-11H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
59n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D5 dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184437
PNG
(1,3-Dichloro-2-methoxy-7-methyl-5,6,7,8,9,14-hexah...)
Show SMILES COc1c(Cl)cc2CCN(C)CCc3ccccc3Cc2c1Cl
Show InChI InChI=1S/C19H21Cl2NO/c1-22-9-7-13-5-3-4-6-14(13)11-16-15(8-10-22)12-17(20)19(23-2)18(16)21/h3-6,12H,7-11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from D2L dopamine receptor


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50184437
PNG
(1,3-Dichloro-2-methoxy-7-methyl-5,6,7,8,9,14-hexah...)
Show SMILES COc1c(Cl)cc2CCN(C)CCc3ccccc3Cc2c1Cl
Show InChI InChI=1S/C19H21Cl2NO/c1-22-9-7-13-5-3-4-6-14(13)11-16-15(8-10-22)12-17(20)19(23-2)18(16)21/h3-6,12H,7-11H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
415n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to D3 dopamine receptor by radioligand binding assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair