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BDBM50213353 CHEMBL308295

SMILES: [H][C@]1(Cc2ccc(O)c(O)c2)CCCN1CCCCCCN(CCC)CCc1ccc(O)c(O)c1

InChI Key: InChIKey=NGGFFSQKRFAGBP-XMMPIXPASA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50213353   
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
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50213353
PNG
(CHEMBL308295)
Show SMILES CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H42N2O4/c1-2-14-29(18-13-22-9-11-25(31)27(33)20-22)15-5-3-4-6-16-30-17-7-8-24(30)19-23-10-12-26(32)28(34)21-23/h9-12,20-21,24,31-34H,2-8,13-19H2,1H3/t24-/m1/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

3.20n/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)
BDBM50213353
PNG
(CHEMBL308295)
Show SMILES CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H42N2O4/c1-2-14-29(18-13-22-9-11-25(31)27(33)20-22)15-5-3-4-6-16-30-17-7-8-24(30)19-23-10-12-26(32)28(34)21-23/h9-12,20-21,24,31-34H,2-8,13-19H2,1H3/t24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

19n/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
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50213353
PNG
(CHEMBL308295)
Show SMILES CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H42N2O4/c1-2-14-29(18-13-22-9-11-25(31)27(33)20-22)15-5-3-4-6-16-30-17-7-8-24(30)19-23-10-12-26(32)28(34)21-23/h9-12,20-21,24,31-34H,2-8,13-19H2,1H3/t24-/m1/s1
Reactome pathway
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

302n/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
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50213353
PNG
(CHEMBL308295)
Show SMILES CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H42N2O4/c1-2-14-29(18-13-22-9-11-25(31)27(33)20-22)15-5-3-4-6-16-30-17-7-8-24(30)19-23-10-12-26(32)28(34)21-23/h9-12,20-21,24,31-34H,2-8,13-19H2,1H3/t24-/m1/s1
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

389n/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