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BDBM50421516 CHEMBL319553

SMILES: CC(C)OC(=O)c1ccccc1NCC1=NCCN1

InChI Key: InChIKey=OZXBSTCCARQDBM-UHFFFAOYSA-N

Data: 3 IC50  3 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 6 hits for monomerid = 50421516   
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))
BDBM50421516
PNG
(CHEMBL319553)
Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)
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PC sid
UniChem
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n/an/a 224n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Alpha-1A adrenergic receptor in human


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 alpha1B


(Homo sapiens (Human))
BDBM50421516
PNG
(CHEMBL319553)
Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against human Alpha-1B adrenergic receptor


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)


(HUMAN)
BDBM50421516
PNG
(CHEMBL319553)
Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)
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PC cid
PC sid
UniChem
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))
BDBM50421516
PNG
(CHEMBL319553)
Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20n/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))
BDBM50421516
PNG
(CHEMBL319553)
Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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-1D adrenergic receptor


(HUMAN)
BDBM50421516
PNG
(CHEMBL319553)
Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against human Alpha-1D adrenergic receptor


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