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BDBM50288555 Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid 4-tert-butyl-benzyl ester::CHEMBL319679

SMILES: CC(C)(C)c1ccc(COC(=O)C(c2ccc3OCOc3c2)c2c3ccccc3nc3ccccc23)cc1

InChI Key: InChIKey=AMWHTWLJFCHTAT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50288555   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50288555
PNG
(Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid 4-t...)
Show SMILES CC(C)(C)c1ccc(COC(=O)C(c2ccc3OCOc3c2)c2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C33H29NO4/c1-33(2,3)23-15-12-21(13-16-23)19-36-32(35)30(22-14-17-28-29(18-22)38-20-37-28)31-24-8-4-6-10-26(24)34-27-11-7-5-9-25(27)31/h4-18,30H,19-20H2,1-3H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against endothelin A receptor in rabbit renal artery vascular smooth muscle cells.


Bioorg Med Chem Lett 6: 2999-3002 (1996)


Article DOI: 10.1016/S0960-894X(96)00551-3
BindingDB Entry DOI: 10.7270/Q26D5SZK
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50288555
PNG
(Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetic acid 4-t...)
Show SMILES CC(C)(C)c1ccc(COC(=O)C(c2ccc3OCOc3c2)c2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C33H29NO4/c1-33(2,3)23-15-12-21(13-16-23)19-36-32(35)30(22-14-17-28-29(18-22)38-20-37-28)31-24-8-4-6-10-26(24)34-27-11-7-5-9-25(27)31/h4-18,30H,19-20H2,1-3H3
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against endothelin A receptor in rabbit renal artery vascular smooth muscle cells.


Bioorg Med Chem Lett 6: 2999-3002 (1996)


Article DOI: 10.1016/S0960-894X(96)00551-3
BindingDB Entry DOI: 10.7270/Q26D5SZK
More data for this
Ligand-Target Pair