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2 similar compounds to monomer 50219153

Compile data set for download or QSAR
Wt: 246.3
BDBM50219154
Wt: 287.3
BDBM50219161

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50219154,50219161   
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))
BDBM50219161
PNG
(CHEMBL329272)
Show SMILES O=C(OC1CCCC1)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N3O2/c20-16(21-12-5-1-2-6-12)13-7-3-4-8-14(13)19-11-15-17-9-10-18-15/h3-4,7-8,12,19H,1-2,5-6,9-11H2,(H,17,18)
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UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 40n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219161
PNG
(CHEMBL329272)
Show SMILES O=C(OC1CCCC1)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N3O2/c20-16(21-12-5-1-2-6-12)13-7-3-4-8-14(13)19-11-15-17-9-10-18-15/h3-4,7-8,12,19H,1-2,5-6,9-11H2,(H,17,18)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50219154
PNG
(CHEMBL100198)
Show SMILES CN(C)C(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H18N4O/c1-17(2)13(18)10-5-3-4-6-11(10)16-9-12-14-7-8-15-12/h3-6,16H,7-9H2,1-2H3,(H,14,15)
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UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219154
PNG
(CHEMBL100198)
Show SMILES CN(C)C(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H18N4O/c1-17(2)13(18)10-5-3-4-6-11(10)16-9-12-14-7-8-15-12/h3-6,16H,7-9H2,1-2H3,(H,14,15)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50219161
PNG
(CHEMBL329272)
Show SMILES O=C(OC1CCCC1)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N3O2/c20-16(21-12-5-1-2-6-12)13-7-3-4-8-14(13)19-11-15-17-9-10-18-15/h3-4,7-8,12,19H,1-2,5-6,9-11H2,(H,17,18)
Reactome pathway
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GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50219154
PNG
(CHEMBL100198)
Show SMILES CN(C)C(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H18N4O/c1-17(2)13(18)10-5-3-4-6-11(10)16-9-12-14-7-8-15-12/h3-6,16H,7-9H2,1-2H3,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair