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BDBM50290984 2-[4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-5-oxo-3-(3,4,5-trimethoxy-benzyl)-2,5-dihydro-furan-2-yloxycarbonylamino]-3-methyl-butyric acid ethyl ester::CHEMBL103846

SMILES: CCOC(=O)C(NC(=O)OC1(OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1)c1ccc(OC)cc1)C(C)C

InChI Key: InChIKey=YJIVLRXOOMLMDC-UHFFFAOYNA-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 = 50290984   
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
EDNRB


(Homo sapiens (Human))
BDBM50290984
PNG
(2-[4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-5-...)
Show SMILES CCOC(=O)C(NC(=O)OC1(OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1)c1ccc(OC)cc1)C(C)C
Show InChI InChI=1/C36H39NO12/c1-8-45-34(39)31(20(2)3)37-35(40)49-36(23-10-12-24(41-4)13-11-23)25(15-21-16-28(42-5)32(44-7)29(17-21)43-6)30(33(38)48-36)22-9-14-26-27(18-22)47-19-46-26/h9-14,16-18,20,31H,8,15,19H2,1-7H3,(H,37,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human endothelin B receptor expressed in CHO-K1 cells.


Bioorg Med Chem Lett 7: 297-302 (1997)


Article DOI: 10.1016/S0960-894X(97)00002-4
BindingDB Entry DOI: 10.7270/Q2B8584G
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50290984
PNG
(2-[4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-5-...)
Show SMILES CCOC(=O)C(NC(=O)OC1(OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1)c1ccc(OC)cc1)C(C)C
Show InChI InChI=1/C36H39NO12/c1-8-45-34(39)31(20(2)3)37-35(40)49-36(23-10-12-24(41-4)13-11-23)25(15-21-16-28(42-5)32(44-7)29(17-21)43-6)30(33(38)48-36)22-9-14-26-27(18-22)47-19-46-26/h9-14,16-18,20,31H,8,15,19H2,1-7H3,(H,37,40)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for human Endothelin A receptor expressed in LtK- cells


Bioorg Med Chem Lett 7: 297-302 (1997)


Article DOI: 10.1016/S0960-894X(97)00002-4
BindingDB Entry DOI: 10.7270/Q2B8584G
More data for this
Ligand-Target Pair