BindingDB logo
myBDB logout

BDBM121529 US8722683, 76

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

InChI Key: InChIKey=PLVMBXJAZDNOCA-IYARVYRRNA-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 = 121529   
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))
BDBM121529
PNG
(US8722683, 76)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1
Show InChI InChI=1/C21H34N4O4S/c1-23(2)30(26,27)22-18-8-6-17(7-9-18)10-11-24-12-14-25(15-13-24)19-4-3-5-20-21(19)29-16-28-20/h3-5,17-18,22H,6-16H2,1-2H3/t17-,18-
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
3.36n/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))
BDBM121529
PNG
(US8722683, 76)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1
Show InChI InChI=1/C21H34N4O4S/c1-23(2)30(26,27)22-18-8-6-17(7-9-18)10-11-24-12-14-25(15-13-24)19-4-3-5-20-21(19)29-16-28-20/h3-5,17-18,22H,6-16H2,1-2H3/t17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
21.6n/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))
BDBM121529
PNG
(US8722683, 76)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1
Show InChI InChI=1/C21H34N4O4S/c1-23(2)30(26,27)22-18-8-6-17(7-9-18)10-11-24-12-14-25(15-13-24)19-4-3-5-20-21(19)29-16-28-20/h3-5,17-18,22H,6-16H2,1-2H3/t17-,18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
128n/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