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BDBM50326987 3-((Z)-4-(((S)-2-(3,4-dimethoxyphenyl)propyl)(methyl)amino)but-2-enyl)-7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one::CHEMBL1254180

SMILES: COc1ccc(cc1OC)[C@H](C)CN(C)C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O

InChI Key: InChIKey=KAZRQWNQMDRZLD-WHXUGTBJSA-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 = 50326987   
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)
BDBM50326987
PNG
(3-((Z)-4-(((S)-2-(3,4-dimethoxyphenyl)propyl)(meth...)
Show SMILES COc1ccc(cc1OC)[C@H](C)CN(C)C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O
Show InChI InChI=1S/C28H36N2O5/c1-20(21-9-10-24(32-3)25(15-21)33-4)19-29(2)12-7-8-13-30-14-11-22-16-26(34-5)27(35-6)17-23(22)18-28(30)31/h7-11,14-17,20H,12-13,18-19H2,1-6H3/b8-7-/t20-/m1/s1
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/an/an/a 2.55E+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)

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


(Homo sapiens)
BDBM50326987
PNG
(3-((Z)-4-(((S)-2-(3,4-dimethoxyphenyl)propyl)(meth...)
Show SMILES COc1ccc(cc1OC)[C@H](C)CN(C)C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O
Show InChI InChI=1S/C28H36N2O5/c1-20(21-9-10-24(32-3)25(15-21)33-4)19-29(2)12-7-8-13-30-14-11-22-16-26(34-5)27(35-6)17-23(22)18-28(30)31/h7-11,14-17,20H,12-13,18-19H2,1-6H3/b8-7-/t20-/m1/s1
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PubMed
n/an/an/an/a 3.16E+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)
BDBM50326987
PNG
(3-((Z)-4-(((S)-2-(3,4-dimethoxyphenyl)propyl)(meth...)
Show SMILES COc1ccc(cc1OC)[C@H](C)CN(C)C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O
Show InChI InChI=1S/C28H36N2O5/c1-20(21-9-10-24(32-3)25(15-21)33-4)19-29(2)12-7-8-13-30-14-11-22-16-26(34-5)27(35-6)17-23(22)18-28(30)31/h7-11,14-17,20H,12-13,18-19H2,1-6H3/b8-7-/t20-/m1/s1
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Article
PubMed
n/an/an/an/a 3.13E+4n/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