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BDBM50218593 CHEMBL117094

SMILES: CS(=O)(=O)c1ccccc1NCC1=NCCN1

InChI Key: InChIKey=MCTRZCCYVQDHLM-UHFFFAOYSA-N

Data: 6 KI  8 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 14 hits for monomerid = 50218593   
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


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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589n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to Alpha-1 adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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1.29E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to human Alpha-1B adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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3.80E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to human Alpha-1D adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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<5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to human Alpha-2C adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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5.62E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to human Alpha-2A adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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<6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to human Alpha-2B adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at Alpha-1D adrenergic receptor assayed in rat-1 fibroblasts expressing human alpha1d


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a 3.16E+3n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at Alpha-2C adrenergic receptor assayed in CHO cells expressing human Alpha-2C adrenergic receptor


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human Alpha-1D adrenergic receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a 56n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at Alpha-1 adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1A


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1B adrenergic receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50218593
PNG
(CHEMBL117094)
Show SMILES CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H15N3O2S/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a<1.00E+4n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at Alpha-2A stably expressed in CHO cells.


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair