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5 similar compounds to monomer 50252149

Wt: 441.5
BDBM50252044
Wt: 427.4
BDBM50252045
Wt: 473.5
BDBM50252100
Wt: 467.5
BDBM50252101
Wt: 459.5
BDBM50252150

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50252044,50252045,50252100,50252101,50252150   
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252045
PNG
((S)-4-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-met...)
Show SMILES CN(C1CCNCC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C24H27F2N3O2/c1-28(20-9-11-27-12-10-20)23(31)29-15-17(21-13-19(25)7-8-22(21)26)14-24(29,16-30)18-5-3-2-4-6-18/h2-8,13-14,20,27,30H,9-12,15-16H2,1H3/t24-/m1/s1
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Article
PubMed
n/an/a 1.92E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEL cells


J Med Chem 51: 4239-52 (2008)


Article DOI: 10.1021/jm800386y
BindingDB Entry DOI: 10.7270/Q26D5SSB
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252150
PNG
((S)-4-(2,5-difluorophenyl)-N-((3S,4S)-3-fluoro-1-m...)
Show SMILES CN([C@H]1CCN(C)C[C@@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23-,25+/m0/s1
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Article
PubMed
n/an/a 3.69E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEL cells


J Med Chem 51: 4239-52 (2008)


Article DOI: 10.1021/jm800386y
BindingDB Entry DOI: 10.7270/Q26D5SSB
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252044
PNG
((2S)-4-(2,5-Difluorophenyl)-2-(hydroxymethyl)-N-me...)
Show SMILES CN(C1CCN(C)CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C25H29F2N3O2/c1-28-12-10-21(11-13-28)29(2)24(32)30-16-18(22-14-20(26)8-9-23(22)27)15-25(30,17-31)19-6-4-3-5-7-19/h3-9,14-15,21,31H,10-13,16-17H2,1-2H3/t25-/m1/s1
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Article
PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEL cells


J Med Chem 51: 4239-52 (2008)


Article DOI: 10.1021/jm800386y
BindingDB Entry DOI: 10.7270/Q26D5SSB
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252100
PNG
((2S)-4-(2,5-difluorophenyl)-N-(1-(2-fluoroethyl)pi...)
Show SMILES CN(C1CCN(CCF)CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C26H30F3N3O2/c1-30(22-9-12-31(13-10-22)14-11-27)25(34)32-17-19(23-15-21(28)7-8-24(23)29)16-26(32,18-33)20-5-3-2-4-6-20/h2-8,15-16,22,33H,9-14,17-18H2,1H3/t26-/m1/s1
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Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEL cells


J Med Chem 51: 4239-52 (2008)


Article DOI: 10.1021/jm800386y
BindingDB Entry DOI: 10.7270/Q26D5SSB
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252101
PNG
((2S)-N-(1-cyclopropylpiperidin-4-yl)-4-(2,5-difluo...)
Show SMILES CN(C1CCN(CC1)C1CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C27H31F2N3O2/c1-30(22-11-13-31(14-12-22)23-8-9-23)26(34)32-17-19(24-15-21(28)7-10-25(24)29)16-27(32,18-33)20-5-3-2-4-6-20/h2-7,10,15-16,22-23,33H,8-9,11-14,17-18H2,1H3/t27-/m1/s1
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Article
PubMed
n/an/a 1.52E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEL cells


J Med Chem 51: 4239-52 (2008)


Article DOI: 10.1021/jm800386y
BindingDB Entry DOI: 10.7270/Q26D5SSB
More data for this
Ligand-Target Pair