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BDBM50326986 3,3'-((2Z,2'Z)-4,4'-((S)-2-(3,4-dimethoxyphenyl)propylazanediyl)bis(but-2-ene-4,1-diyl))bis(7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one)::CHEMBL1253476

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

InChI Key: InChIKey=WCJGGTAAPIAIJS-BBFPSNOWSA-N

Data: 3 EC50

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   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 = 50326986   
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)
BDBM50326986
PNG
(3,3'-((2Z,2'Z)-4,4'-((S)-2-(3,4-dimethoxyphenyl)pr...)
Show SMILES COc1ccc(cc1OC)[C@H](C)CN(C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O)C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O |r,c:20,42|
Show InChI InChI=1S/C43H51N3O8/c1-30(31-12-13-36(49-2)37(22-31)50-3)29-44(16-8-10-18-45-20-14-32-23-38(51-4)40(53-6)25-34(32)27-42(45)47)17-9-11-19-46-21-15-33-24-39(52-5)41(54-7)26-35(33)28-43(46)48/h8-15,20-26,30H,16-19,27-29H2,1-7H3/b10-8-,11-9-/t30-/m1/s1
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Article
PubMed
n/an/an/an/a 5.01E+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
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4


(Homo sapiens (Human))
BDBM50326986
PNG
(3,3'-((2Z,2'Z)-4,4'-((S)-2-(3,4-dimethoxyphenyl)pr...)
Show SMILES COc1ccc(cc1OC)[C@H](C)CN(C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O)C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O |r,c:20,42|
Show InChI InChI=1S/C43H51N3O8/c1-30(31-12-13-36(49-2)37(22-31)50-3)29-44(16-8-10-18-45-20-14-32-23-38(51-4)40(53-6)25-34(32)27-42(45)47)17-9-11-19-46-21-15-33-24-39(52-5)41(54-7)26-35(33)28-43(46)48/h8-15,20-26,30H,16-19,27-29H2,1-7H3/b10-8-,11-9-/t30-/m1/s1
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n/an/an/an/a 1.36E+5n/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 1


(Mus musculus)
BDBM50326986
PNG
(3,3'-((2Z,2'Z)-4,4'-((S)-2-(3,4-dimethoxyphenyl)pr...)
Show SMILES COc1ccc(cc1OC)[C@H](C)CN(C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O)C\C=C/CN1C=Cc2cc(OC)c(OC)cc2CC1=O |r,c:20,42|
Show InChI InChI=1S/C43H51N3O8/c1-30(31-12-13-36(49-2)37(22-31)50-3)29-44(16-8-10-18-45-20-14-32-23-38(51-4)40(53-6)25-34(32)27-42(45)47)17-9-11-19-46-21-15-33-24-39(52-5)41(54-7)26-35(33)28-43(46)48/h8-15,20-26,30H,16-19,27-29H2,1-7H3/b10-8-,11-9-/t30-/m1/s1
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n/an/an/an/a 1.79E+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)


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