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BDBM50000214 CHEMBL337862

SMILES: C(Nc1ccccc1-c1ccccc1)C1=NCCN1

InChI Key: InChIKey=RJDGUOVDCSODNG-UHFFFAOYSA-N

Data: 1 KI  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 7 hits for monomerid = 50000214   
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))
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.90n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 63n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2a-AR expressed in CHO cells assessed as rate of acidification after 240 mins by cytosensor microphysiometric analysis


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 148n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2c-AR expressed in CHO cells assessed as rate of acidification after 240 mins by cytosensor microphysiometric analysis


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 955n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2b-AR expressed in CHO cells assessed as rate of acidification after 240 mins by cytosensor microphysiometric analysis


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in Sprague-Dawley rat kidney cell membranes after 30 mins by liquid ...


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair