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BDBM50075435 7-Amino-1-(2-methoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,2-dihydro-benzo[4,5]furo[3,2-b]pyridine-3-carboxylic acid::CHEMBL349556

SMILES: COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1cc(N)ccc21

InChI Key: InChIKey=WKICNJHLMCLEFW-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 = 50075435   
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))
BDBM50075435
PNG
(7-Amino-1-(2-methoxy-benzyl)-4-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1cc(N)ccc21
Show InChI InChI=1S/C27H22N2O6/c1-33-18-10-7-15(8-11-18)22-23(27(31)32)26(30)29(14-16-5-3-4-6-20(16)34-2)24-19-12-9-17(28)13-21(19)35-25(22)24/h3-13H,14,28H2,1-2H3,(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes


Bioorg Med Chem Lett 9: 619-22 (1999)


Article DOI: 10.1016/s0960-894x(99)00040-2
BindingDB Entry DOI: 10.7270/Q2DB811P
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50075435
PNG
(7-Amino-1-(2-methoxy-benzyl)-4-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c1oc1cc(N)ccc21
Show InChI InChI=1S/C27H22N2O6/c1-33-18-10-7-15(8-11-18)22-23(27(31)32)26(30)29(14-16-5-3-4-6-20(16)34-2)24-19-12-9-17(28)13-21(19)35-25(22)24/h3-13H,14,28H2,1-2H3,(H,31,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes


Bioorg Med Chem Lett 9: 619-22 (1999)


Article DOI: 10.1016/s0960-894x(99)00040-2
BindingDB Entry DOI: 10.7270/Q2DB811P
More data for this
Ligand-Target Pair