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BDBM50417542 CHEMBL1630939

SMILES: COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O

InChI Key: InChIKey=ZGUOYAOEHJPFST-LJQANCHMSA-N

Data: 3 KI

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 = 50417542   
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)
BDBM50417542
PNG
(CHEMBL1630939)
Show SMILES COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O
Show InChI InChI=1S/C25H30N2O5S/c1-19(16-21-12-13-24(30-2)25(17-21)33(26,28)29)27-14-15-31-22-10-6-7-11-23(22)32-18-20-8-4-3-5-9-20/h3-13,17,19,27H,14-16,18H2,1-2H3,(H2,26,28,29)/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.324n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO cells


Eur J Med Chem 45: 5800-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.042
BindingDB Entry DOI: 10.7270/Q2TX3GNT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417542
PNG
(CHEMBL1630939)
Show SMILES COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O
Show InChI InChI=1S/C25H30N2O5S/c1-19(16-21-12-13-24(30-2)25(17-21)33(26,28)29)27-14-15-31-22-10-6-7-11-23(22)32-18-20-8-4-3-5-9-20/h3-13,17,19,27H,14-16,18H2,1-2H3,(H2,26,28,29)/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.347n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cells


Eur J Med Chem 45: 5800-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.042
BindingDB Entry DOI: 10.7270/Q2TX3GNT
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50417542
PNG
(CHEMBL1630939)
Show SMILES COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O
Show InChI InChI=1S/C25H30N2O5S/c1-19(16-21-12-13-24(30-2)25(17-21)33(26,28)29)27-14-15-31-22-10-6-7-11-23(22)32-18-20-8-4-3-5-9-20/h3-13,17,19,27H,14-16,18H2,1-2H3,(H2,26,28,29)/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.09n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cells


Eur J Med Chem 45: 5800-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.042
BindingDB Entry DOI: 10.7270/Q2TX3GNT
More data for this
Ligand-Target Pair