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BDBM50421577 CHEMBL318544

SMILES: CCCNC(=O)c1ccccc1NCC1=NCCN1

InChI Key: InChIKey=CGRLAWJJBVDUOY-UHFFFAOYSA-N

Data: 3 IC50  6 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 9 hits for monomerid = 50421577   
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))
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
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Article
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n/an/an/an/a 7.90n/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))
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
UniProtKB/SwissProt

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PC sid
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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-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
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
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n/an/an/an/a 158n/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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 1.70E+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 adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
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Article
PubMed
n/an/an/an/a 7.90n/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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 282n/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)
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 158n/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
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
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-1D adrenergic receptor


(HUMAN)
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 513n/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