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BDBM50326993 3-((Z)-4-((3,4-dimethoxyphenethyl)(methyl)amino)but-2-enyl)-7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one::CHEMBL1254085

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

InChI Key: InChIKey=MNTPOTAUHGJRTD-SREVYHEPSA-N

Data: 3 EC50

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 3 hits for monomerid = 50326993   
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 1


(Mus musculus)
BDBM50326993
PNG
(3-((Z)-4-((3,4-dimethoxyphenethyl)(methyl)amino)bu...)
Show SMILES COc1ccc(CCN(C)C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC |c:15|
Show InChI InChI=1S/C27H34N2O5/c1-28(14-10-20-8-9-23(31-2)24(16-20)32-3)12-6-7-13-29-15-11-21-17-25(33-4)26(34-5)18-22(21)19-27(29)30/h6-9,11,15-18H,10,12-14,19H2,1-5H3/b7-6-
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.60E+3n/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)


Article DOI: 10.1021/jm1006758
BindingDB Entry DOI: 10.7270/Q2T43T9J
More data for this
Ligand-Target Pair
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4


(Homo sapiens (Human))
BDBM50326993
PNG
(3-((Z)-4-((3,4-dimethoxyphenethyl)(methyl)amino)bu...)
Show SMILES COc1ccc(CCN(C)C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC |c:15|
Show InChI InChI=1S/C27H34N2O5/c1-28(14-10-20-8-9-23(31-2)24(16-20)32-3)12-6-7-13-29-15-11-21-17-25(33-4)26(34-5)18-22(21)19-27(29)30/h6-9,11,15-18H,10,12-14,19H2,1-5H3/b7-6-
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 7.14E+3n/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)


Article DOI: 10.1021/jm1006758
BindingDB Entry DOI: 10.7270/Q2T43T9J
More data for this
Ligand-Target Pair
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2


(Mus musculus)
BDBM50326993
PNG
(3-((Z)-4-((3,4-dimethoxyphenethyl)(methyl)amino)bu...)
Show SMILES COc1ccc(CCN(C)C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC |c:15|
Show InChI InChI=1S/C27H34N2O5/c1-28(14-10-20-8-9-23(31-2)24(16-20)32-3)12-6-7-13-29-15-11-21-17-25(33-4)26(34-5)18-22(21)19-27(29)30/h6-9,11,15-18H,10,12-14,19H2,1-5H3/b7-6-
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 2.46E+4n/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)


Article DOI: 10.1021/jm1006758
BindingDB Entry DOI: 10.7270/Q2T43T9J
More data for this
Ligand-Target Pair