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BDBM50152841 CHEMBL3780184

SMILES: COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(OCC1CC1)c4OC

InChI Key: InChIKey=NLTDKVOJLVQOQL-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 50152841   
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))
BDBM50152841
PNG
(CHEMBL3780184)
Show SMILES COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(OCC1CC1)c4OC
Show InChI InChI=1/C23H27NO4/c1-26-22-10-16-7-8-24-12-18-15(9-19(24)17(16)11-20(22)25)5-6-21(23(18)27-2)28-13-14-3-4-14/h5-6,10-11,14,19,25H,3-4,7-9,12-13H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
12n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay


Bioorg Med Chem 24: 2060-71 (2016)


BindingDB Entry DOI: 10.7270/Q2SX6G3G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50152841
PNG
(CHEMBL3780184)
Show SMILES COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(OCC1CC1)c4OC
Show InChI InChI=1/C23H27NO4/c1-26-22-10-16-7-8-24-12-18-15(9-19(24)17(16)11-20(22)25)5-6-21(23(18)27-2)28-13-14-3-4-14/h5-6,10-11,14,19,25H,3-4,7-9,12-13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
12n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from human sigma1 receptor by PDSP assay


Bioorg Med Chem 24: 2060-71 (2016)


BindingDB Entry DOI: 10.7270/Q2SX6G3G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50152841
PNG
(CHEMBL3780184)
Show SMILES COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(OCC1CC1)c4OC
Show InChI InChI=1/C23H27NO4/c1-26-22-10-16-7-8-24-12-18-15(9-19(24)17(16)11-20(22)25)5-6-21(23(18)27-2)28-13-14-3-4-14/h5-6,10-11,14,19,25H,3-4,7-9,12-13H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
54n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP assay


Bioorg Med Chem 24: 2060-71 (2016)


BindingDB Entry DOI: 10.7270/Q2SX6G3G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50152841
PNG
(CHEMBL3780184)
Show SMILES COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(OCC1CC1)c4OC
Show InChI InChI=1/C23H27NO4/c1-26-22-10-16-7-8-24-12-18-15(9-19(24)17(16)11-20(22)25)5-6-21(23(18)27-2)28-13-14-3-4-14/h5-6,10-11,14,19,25H,3-4,7-9,12-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
54n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by PDSP assay


Bioorg Med Chem 24: 2060-71 (2016)


BindingDB Entry DOI: 10.7270/Q2SX6G3G
More data for this
Ligand-Target Pair