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BDBM50326985 3,3'-((2Z,2'Z)-4,4'-(3,4-dimethoxyphenethylazanediyl)bis(but-2-ene-4,1-diyl))bis(7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one)::CHEMBL1253477

SMILES: COc1ccc(CCN(C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC

InChI Key: InChIKey=HYAMGVKMAKVYBM-XOHWUJONSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50326985   
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
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2


(Mus musculus)
BDBM50326985
PNG
(3,3'-((2Z,2'Z)-4,4'-(3,4-dimethoxyphenethylazanedi...)
Show SMILES COc1ccc(CCN(C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC
Show InChI InChI=1S/C42H49N3O8/c1-48-35-12-11-30(23-36(35)49-2)13-20-43(16-7-9-18-44-21-14-31-24-37(50-3)39(52-5)26-33(31)28-41(44)46)17-8-10-19-45-22-15-32-25-38(51-4)40(53-6)27-34(32)29-42(45)47/h7-12,14-15,21-27H,13,16-20,28-29H2,1-6H3/b9-7-,10-8-
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Article
PubMed
n/an/an/an/a 1.47E+5n/an/an/an/a



Laboratory of Design, Synthesis, and Study of Biologically Active Heterocycles (HeteroBioLab)

Curated by ChEMBL


Assay Description
Blockade of mouse HCN2 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay


J Med Chem 53: 6773-7 (2010)

More data for this
Ligand-Target Pair
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4


(Homo sapiens)
BDBM50326985
PNG
(3,3'-((2Z,2'Z)-4,4'-(3,4-dimethoxyphenethylazanedi...)
Show SMILES COc1ccc(CCN(C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC
Show InChI InChI=1S/C42H49N3O8/c1-48-35-12-11-30(23-36(35)49-2)13-20-43(16-7-9-18-44-21-14-31-24-37(50-3)39(52-5)26-33(31)28-41(44)46)17-8-10-19-45-22-15-32-25-38(51-4)40(53-6)27-34(32)29-42(45)47/h7-12,14-15,21-27H,13,16-20,28-29H2,1-6H3/b9-7-,10-8-
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Article
PubMed
n/an/an/an/a 7.07E+4n/an/an/an/a



Laboratory of Design, Synthesis, and Study of Biologically Active Heterocycles (HeteroBioLab)

Curated by ChEMBL


Assay Description
Blockade of human HCN4 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay


J Med Chem 53: 6773-7 (2010)

More data for this
Ligand-Target Pair
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1


(Mus musculus)
BDBM50326985
PNG
(3,3'-((2Z,2'Z)-4,4'-(3,4-dimethoxyphenethylazanedi...)
Show SMILES COc1ccc(CCN(C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC
Show InChI InChI=1S/C42H49N3O8/c1-48-35-12-11-30(23-36(35)49-2)13-20-43(16-7-9-18-44-21-14-31-24-37(50-3)39(52-5)26-33(31)28-41(44)46)17-8-10-19-45-22-15-32-25-38(51-4)40(53-6)27-34(32)29-42(45)47/h7-12,14-15,21-27H,13,16-20,28-29H2,1-6H3/b9-7-,10-8-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.07E+5n/an/an/an/a



Laboratory of Design, Synthesis, and Study of Biologically Active Heterocycles (HeteroBioLab)

Curated by ChEMBL


Assay Description
Blockade of mouse HCN1 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay


J Med Chem 53: 6773-7 (2010)

More data for this
Ligand-Target Pair