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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50213356   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50213356
PNG
(CHEMBL310997)
Show SMILES Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24-/m1/s1
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Similars

6.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Dopamine receptor D2 in rat striatal membranes using [3H]spiperone


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930WC4
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(RAT)
BDBM50213356
PNG
(CHEMBL310997)
Show SMILES Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

6.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Dopamine receptor D1 in rat striatal membranes using [3H]SCH-23390


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930WC4
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50213356
PNG
(CHEMBL310997)
Show SMILES Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24-/m1/s1
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-1 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930WC4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50213356
PNG
(CHEMBL310997)
Show SMILES Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

58n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its binding affinity against Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930WC4
More data for this
Ligand-Target Pair