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SMILES: Oc1ccc2C3CNCc4cccc(Sc2c1O)c34

InChI Key: InChIKey=BBDBLYVUGIMODC-UHFFFAOYSA-N

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 2 hits for monomerid = 86461   
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


(Rattus norvegicus (rat))
BDBM86461
PNG
(1,2,3,11b-Tetrahydro[1]benzothiopyrano[4,3,2-de]is...)
Show SMILES Oc1ccc2C3CNCc4cccc(Sc2c1O)c34
Show InChI InChI=1S/C15H13NO2S/c17-11-5-4-9-10-7-16-6-8-2-1-3-12(13(8)10)19-15(9)14(11)18/h1-5,10,16-18H,6-7H2
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
34.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM86461
PNG
(1,2,3,11b-Tetrahydro[1]benzothiopyrano[4,3,2-de]is...)
Show SMILES Oc1ccc2C3CNCc4cccc(Sc2c1O)c34
Show InChI InChI=1S/C15H13NO2S/c17-11-5-4-9-10-7-16-6-8-2-1-3-12(13(8)10)19-15(9)14(11)18/h1-5,10,16-18H,6-7H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
536n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by PDSP Ki Database




Bioorg Med Chem 12: 715-34 (2004)


Article DOI: 10.1016/j.bmc.2003.11.015
BindingDB Entry DOI: 10.7270/Q2FF3QX2
More data for this
Ligand-Target Pair