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BDBM50474640 CHEMBL109553

SMILES: CCS(=O)(=O)Nc1cccc2C(CN)CCCc12

InChI Key: InChIKey=UCGABONFPJXISK-UHFFFAOYSA-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 = 50474640   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474640
PNG
(CHEMBL109553)
Show SMILES CCS(=O)(=O)Nc1cccc2C(CN)CCCc12
Show InChI InChI=1S/C13H20N2O2S/c1-2-18(16,17)15-13-8-4-6-11-10(9-14)5-3-7-12(11)13/h4,6,8,10,15H,2-3,5,7,9,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
794n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1D


(Rattus norvegicus (Rat))
BDBM50474640
PNG
(CHEMBL109553)
Show SMILES CCS(=O)(=O)Nc1cccc2C(CN)CCCc12
Show InChI InChI=1S/C13H20N2O2S/c1-2-18(16,17)15-13-8-4-6-11-10(9-14)5-3-7-12(11)13/h4,6,8,10,15H,2-3,5,7,9,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
adrenergic Alpha1


(HAMSTER)
BDBM50474640
PNG
(CHEMBL109553)
Show SMILES CCS(=O)(=O)Nc1cccc2C(CN)CCCc12
Show InChI InChI=1S/C13H20N2O2S/c1-2-18(16,17)15-13-8-4-6-11-10(9-14)5-3-7-12(11)13/h4,6,8,10,15H,2-3,5,7,9,14H2,1H3
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1B adrenergic receptor of hamster clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair