BindingDB logo
myBDB logout

BDBM50172999 CHEMBL3808632

SMILES: CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCc1ccccc1

InChI Key: InChIKey=REJMTGCSIUAMRO-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 = 50172999   
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-1D adrenergic receptor


(HUMAN)
BDBM50172999
PNG
(CHEMBL3808632)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C30H37N3O4/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/h2-6,8-11,19-20,22,32,34H,7,12-18,21H2,1H3,(H2,31,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/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...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50172999
PNG
(CHEMBL3808632)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C30H37N3O4/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/h2-6,8-11,19-20,22,32,34H,7,12-18,21H2,1H3,(H2,31,35)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 641n/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...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50172999
PNG
(CHEMBL3808632)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C30H37N3O4/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/h2-6,8-11,19-20,22,32,34H,7,12-18,21H2,1H3,(H2,31,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60n/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...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair