BindingDB logo
myBDB logout

BDBM50387558 CHEMBL2057456

SMILES: COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O

InChI Key: InChIKey=MGVDVMXKPXRHQC-KRWDZBQOSA-N

Data: 5 KI  2 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 = 50387558   
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


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17.3n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
147n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
147n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30.7n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50387558
PNG
(CHEMBL2057456)
Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O
Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 514n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair