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BDBM50090830 (+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-thia-1-aza-phenanthren-6-ol::CHEMBL98197

SMILES: CCCN1CCO[C@@H]2[C@@H]1CSc1ccc(O)cc21

InChI Key: InChIKey=OMQYELRKBALQJF-JSGCOSHPSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50090830   
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))
BDBM50090830
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
854n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for agonist binding affinity by measuring displacement of [3H]NPA from Human Dopamine receptor D2L expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


Article DOI: 10.1021/jm0000113
BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090830
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for binding affinity by measuring displacement of [3H]8-OH-DPAT from rat serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 43: 2871-82 (2000)


Article DOI: 10.1021/jm0000113
BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50090830
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


Article DOI: 10.1021/jm0000113
BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50090830
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.30E+3n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D4 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


Article DOI: 10.1021/jm0000113
BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair