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BDBM50173002 CHEMBL3808408

SMILES: COc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O

InChI Key: InChIKey=RKHBPDFPBLQPEZ-UHFFFAOYSA-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 = 50173002   
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))
BDBM50173002
PNG
(CHEMBL3808408)
Show SMILES COc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1S/C24H33N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-7,15-17,26,28H,5,8-14H2,1-2H3,(H2,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.80n/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
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50173002
PNG
(CHEMBL3808408)
Show SMILES COc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1S/C24H33N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-7,15-17,26,28H,5,8-14H2,1-2H3,(H2,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 16n/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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50173002
PNG
(CHEMBL3808408)
Show SMILES COc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1S/C24H33N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-7,15-17,26,28H,5,8-14H2,1-2H3,(H2,25,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 610n/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