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BDBM235777 US9359372, DC037013::US9359372, DC037034

SMILES: COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12

InChI Key: InChIKey=OIKSHMCSVZMXCU-INIZCTEOSA-N

Data: 5 KI  4 IC50  1 EC50

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 = 235777   
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))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
23.6 -10.6 47.9n/an/an/an/an/a30



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
23.6 -10.6n/an/an/an/an/a7.430



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
The affinity of compounds to D1 and D2 dopamine receptors were determined by competition binding assays. Membrane homogenates of HEK293T cells were s...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
248 -9.16 484n/an/an/an/an/a30



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
485 -8.75 2.51E+3n/an/an/an/an/a30



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
497 -8.74 631n/an/an/an/an/a30



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM235777
PNG
(US9359372, DC037013 | US9359372, DC037034)
Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12
Show InChI InChI=1S/C20H21NO4/c1-22-17-3-4-18(23-2)15-10-21-6-5-12-7-19-20(25-11-24-19)9-13(12)16(21)8-14(15)17/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 9.74E+3n/an/an/a37



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Each medicament was dissolved in serum-free F12 culture medium containing 100 μM of IBMX. CHO cells which can stably express D2 receptor were pre-...


US Patent US9359372 (2016)


BindingDB Entry DOI: 10.7270/Q2736PSP
More data for this
Ligand-Target Pair