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BDBM121461 US8722683, 8

SMILES: O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1

InChI Key: InChIKey=UDDOLORLTBTWLQ-KESTWPANNA-N

Data: 3 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 3 hits for monomerid = 121461   
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
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM121461
PNG
(US8722683, 8)
Show SMILES O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1
Show InChI InChI=1/C24H35N3O3/c28-23(16-19-4-5-19)25-20-8-6-18(7-9-20)10-11-26-12-14-27(15-13-26)21-2-1-3-22-24(21)30-17-29-22/h1-3,18-20H,4-17H2,(H,25,28)/t18-,20-
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.23n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl...


US Patent US8722683 (2014)


BindingDB Entry DOI: 10.7270/Q2J101VJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM121461
PNG
(US8722683, 8)
Show SMILES O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1
Show InChI InChI=1/C24H35N3O3/c28-23(16-19-4-5-19)25-20-8-6-18(7-9-20)10-11-26-12-14-27(15-13-26)21-2-1-3-22-24(21)30-17-29-22/h1-3,18-20H,4-17H2,(H,25,28)/t18-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
12.4n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl...


US Patent US8722683 (2014)


BindingDB Entry DOI: 10.7270/Q2J101VJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM121461
PNG
(US8722683, 8)
Show SMILES O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1
Show InChI InChI=1/C24H35N3O3/c28-23(16-19-4-5-19)25-20-8-6-18(7-9-20)10-11-26-12-14-27(15-13-26)21-2-1-3-22-24(21)30-17-29-22/h1-3,18-20H,4-17H2,(H,25,28)/t18-,20-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
142n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl...


US Patent US8722683 (2014)


BindingDB Entry DOI: 10.7270/Q2J101VJ
More data for this
Ligand-Target Pair