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BDBM50219080 CHEMBL152693

SMILES: Cc1ccsc1-c1ccccc1NCC1=NCCN1

InChI Key: InChIKey=HCEHSLLRVKRKFF-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50219080   
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))
BDBM50219080
PNG
(CHEMBL152693)
Show SMILES Cc1ccsc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H17N3S/c1-11-6-9-19-15(11)12-4-2-3-5-13(12)18-10-14-16-7-8-17-14/h2-6,9,18H,7-8,10H2,1H3,(H,16,17)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.851n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50219080
PNG
(CHEMBL152693)
Show SMILES Cc1ccsc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H17N3S/c1-11-6-9-19-15(11)12-4-2-3-5-13(12)18-10-14-16-7-8-17-14/h2-6,9,18H,7-8,10H2,1H3,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 49n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human alpha-1D receptor expressed in rat-1 fibroblasts via calcium using mobilization through the Gq coupled PLC pathway as fu...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219080
PNG
(CHEMBL152693)
Show SMILES Cc1ccsc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H17N3S/c1-11-6-9-19-15(11)12-4-2-3-5-13(12)18-10-14-16-7-8-17-14/h2-6,9,18H,7-8,10H2,1H3,(H,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 112n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair