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BDBM50421576 CHEMBL325745

SMILES: CCCNC(=O)c1ccccc1NCc1cnc[nH]1

InChI Key: InChIKey=JFEAROLAZKGICP-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 = 50421576   
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 adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50421576
PNG
(CHEMBL325745)
Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4n/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)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421576
PNG
(CHEMBL325745)
Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 316n/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)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421576
PNG
(CHEMBL325745)
Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.02E+3n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1B-adrenoreceptor receptors expressed in rat-1 fibroblasts


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


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50421576
PNG
(CHEMBL325745)
Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 871n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1D-adrenoreceptor receptors expressed in rat-1 fibroblasts


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


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421576
PNG
(CHEMBL325745)
Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1A-adrenoreceptor receptors expressed in rat-1 fibroblasts


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


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50421576
PNG
(CHEMBL325745)
Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 79n/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)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair