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BDBM453276 US10729710, Compound (Ia)

SMILES: CCCN1CCC[C@@H]2CC3=C(CCCC3=O)C[C@@H]12

InChI Key: InChIKey=QLIKRYHBUISCTR-UKRRQHHQSA-N

Data: 3 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 3 hits for monomerid = 453276   
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))
BDBM453276
PNG
(US10729710, Compound (Ia))
Show SMILES CCCN1CCC[C@@H]2CC3=C(CCCC3=O)C[C@@H]12 |r,t:9|
Show InChI InChI=1S/C16H25NO/c1-2-8-17-9-4-6-13-10-14-12(11-15(13)17)5-3-7-16(14)18/h13,15H,2-11H2,1H3/t13-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Dopamine D1 receptor agonism was measured using a HTRF cAMP from CisBio using the protocol developed by HD Biosciences (China). Briefly, the assay is...


US Patent US10729710 (2020)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM453276
PNG
(US10729710, Compound (Ia))
Show SMILES CCCN1CCC[C@@H]2CC3=C(CCCC3=O)C[C@@H]12 |r,t:9|
Show InChI InChI=1S/C16H25NO/c1-2-8-17-9-4-6-13-10-14-12(11-15(13)17)5-3-7-16(14)18/h13,15H,2-11H2,1H3/t13-,15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>6.00E+3n/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Evaluation of the agonist activity of compounds (I), (Ia) and (Ib) at the human 5-HT2B receptor was performed by Eurofins/Cerep (France) measuring th...


US Patent US10729710 (2020)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM453276
PNG
(US10729710, Compound (Ia))
Show SMILES CCCN1CCC[C@@H]2CC3=C(CCCC3=O)C[C@@H]12 |r,t:9|
Show InChI InChI=1S/C16H25NO/c1-2-8-17-9-4-6-13-10-14-12(11-15(13)17)5-3-7-16(14)18/h13,15H,2-11H2,1H3/t13-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Dopamine D2 receptor agonism was measured using a calcium mobilization assay protocol developed by HD Biosciences (China). Briefly, HEK293/G15 cells ...


US Patent US10729710 (2020)

More data for this
Ligand-Target Pair