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BDBM50474670 CHEMBL111584

SMILES: Cn1cnc(c1)C1CCCc2c(NS(C)(=O)=O)cccc12

InChI Key: InChIKey=LYWFNHZAKZKEFI-UHFFFAOYSA-N

Data: 6 KI  1 EC50

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 7 hits for monomerid = 50474670   
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474670
PNG
(CHEMBL111584)
Show SMILES Cn1cnc(c1)C1CCCc2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C15H19N3O2S/c1-18-9-15(16-10-18)13-7-3-6-12-11(13)5-4-8-14(12)17-21(2,19)20/h4-5,8-10,13,17H,3,6-7H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
275n/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-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50474670
PNG
(CHEMBL111584)
Show SMILES Cn1cnc(c1)C1CCCc2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C15H19N3O2S/c1-18-9-15(16-10-18)13-7-3-6-12-11(13)5-4-8-14(12)17-21(2,19)20/h4-5,8-10,13,17H,3,6-7H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
275n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to alpha1A adrenoreceptor in Rattus norvegicus (rat) submaxillary gland by radioligand displacement assay


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1D


(Rattus norvegicus (Rat))
BDBM50474670
PNG
(CHEMBL111584)
Show SMILES Cn1cnc(c1)C1CCCc2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C15H19N3O2S/c1-18-9-15(16-10-18)13-7-3-6-12-11(13)5-4-8-14(12)17-21(2,19)20/h4-5,8-10,13,17H,3,6-7H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.05E+3n/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)
BDBM50474670
PNG
(CHEMBL111584)
Show SMILES Cn1cnc(c1)C1CCCc2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C15H19N3O2S/c1-18-9-15(16-10-18)13-7-3-6-12-11(13)5-4-8-14(12)17-21(2,19)20/h4-5,8-10,13,17H,3,6-7H2,1-2H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
1.05E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Cricetinae (hamster) alpha1B adrenoreceptor by radioligand displacement assay


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
adrenergic Alpha1


(HAMSTER)
BDBM50474670
PNG
(CHEMBL111584)
Show SMILES Cn1cnc(c1)C1CCCc2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C15H19N3O2S/c1-18-9-15(16-10-18)13-7-3-6-12-11(13)5-4-8-14(12)17-21(2,19)20/h4-5,8-10,13,17H,3,6-7H2,1-2H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.04E+3n/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
Alpha adrenergic receptor 1A and 1D


(Rattus norvegicus (Rat))
BDBM50474670
PNG
(CHEMBL111584)
Show SMILES Cn1cnc(c1)C1CCCc2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C15H19N3O2S/c1-18-9-15(16-10-18)13-7-3-6-12-11(13)5-4-8-14(12)17-21(2,19)20/h4-5,8-10,13,17H,3,6-7H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
3.63E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Rattus norvegicus (rat) alpha1D adrenoreceptor by radioligand displacement assay


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
adrenergic Alpha1


(RABBIT)
BDBM50474670
PNG
(CHEMBL111584)
Show SMILES Cn1cnc(c1)C1CCCc2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C15H19N3O2S/c1-18-9-15(16-10-18)13-7-3-6-12-11(13)5-4-8-14(12)17-21(2,19)20/h4-5,8-10,13,17H,3,6-7H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/an/an/a 5.50E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1A adrenoreceptor in Oryctolagus cuniculus (rabbit) urethra


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair