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BDBM50173109 CHEMBL3809093

SMILES: CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCc1ccccc1

InChI Key: InChIKey=WQEWTKPRTZWJNW-UHFFFAOYNA-N

Data: 3 IC50

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 = 50173109   
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
Adrenergic receptor alpha


(HUMAN)
BDBM50173109
PNG
(CHEMBL3809093)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1/C30H35N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-12,15,19-20,22,32,34H,7,13-14,16-18,21H2,1H3,(H2,31,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.100n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173109
PNG
(CHEMBL3809093)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1/C30H35N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-12,15,19-20,22,32,34H,7,13-14,16-18,21H2,1H3,(H2,31,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.70n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50173109
PNG
(CHEMBL3809093)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1/C30H35N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-12,15,19-20,22,32,34H,7,13-14,16-18,21H2,1H3,(H2,31,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 131n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1B adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


Citation and Details
More data for this
Ligand-Target Pair