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BDBM50097188 2-[(3-Benzo[1,3]dioxol-5-yl-acryloyl)-(4-methoxy-benzyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL152654

SMILES: COc1ccc(CN(C(Cc2ccc(O)cc2)C(O)=O)C(=O)\C=C\c2ccc3OCOc3c2)cc1

InChI Key: InChIKey=ULUAWDFRCBTMBH-NTUHNPAUNA-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 = 50097188   
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
Endothelin receptor ET-A


(Sus scrofa)
BDBM50097188
PNG
(2-[(3-Benzo[1,3]dioxol-5-yl-acryloyl)-(4-methoxy-b...)
Show SMILES COc1ccc(CN(C(Cc2ccc(O)cc2)C(O)=O)C(=O)\C=C\c2ccc3OCOc3c2)cc1
Show InChI InChI=1/C27H25NO7/c1-33-22-10-4-20(5-11-22)16-28(23(27(31)32)14-18-2-8-21(29)9-3-18)26(30)13-7-19-6-12-24-25(15-19)35-17-34-24/h2-13,15,23,29H,14,16-17H2,1H3,(H,31,32)/b13-7+
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Ability to bind with Endothelin A receptor competitively in the presence of (125 I) endothelin using receptor binding assay.


Bioorg Med Chem Lett 11: 555-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00009-9
BindingDB Entry DOI: 10.7270/Q2K936SX
More data for this
Ligand-Target Pair
Endothelin receptor ET-B


(Sus scrofa)
BDBM50097188
PNG
(2-[(3-Benzo[1,3]dioxol-5-yl-acryloyl)-(4-methoxy-b...)
Show SMILES COc1ccc(CN(C(Cc2ccc(O)cc2)C(O)=O)C(=O)\C=C\c2ccc3OCOc3c2)cc1
Show InChI InChI=1/C27H25NO7/c1-33-22-10-4-20(5-11-22)16-28(23(27(31)32)14-18-2-8-21(29)9-3-18)26(30)13-7-19-6-12-24-25(15-19)35-17-34-24/h2-13,15,23,29H,14,16-17H2,1H3,(H,31,32)/b13-7+
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Ranbaxy Laboratories Limited

Curated by ChEMBL


Assay Description
Ability to bind with Endothelin B receptor competitively in the presence of (125 I) endothelin using receptor binding assay.


Bioorg Med Chem Lett 11: 555-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00009-9
BindingDB Entry DOI: 10.7270/Q2K936SX
More data for this
Ligand-Target Pair