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SMILES: Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cn2)C(F)(F)F)CC1)c1ccc(F)cc1

InChI Key: InChIKey=RWHIDQWJRLHVCH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50296017   
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 voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296017
PNG
(CHEMBL538936 | N-(bis(4-fluorophenyl)methyl)-2-(1-...)
Show SMILES Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cn2)C(F)(F)F)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C31H29F5N4O/c32-26-6-1-23(2-7-26)30(24-3-8-27(33)9-4-24)38-29(41)17-21-11-14-39(15-12-21)19-22-13-16-40(20-22)28-10-5-25(18-37-28)31(34,35)36/h1-10,13,16,18,20-21,30H,11-12,14-15,17,19H2,(H,38,41)
PDB
MMDB

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n/an/a 800n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


Bioorg Med Chem Lett 19: 4268-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.067
BindingDB Entry DOI: 10.7270/Q2RX9C4H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50296017
PNG
(CHEMBL538936 | N-(bis(4-fluorophenyl)methyl)-2-(1-...)
Show SMILES Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cn2)C(F)(F)F)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C31H29F5N4O/c32-26-6-1-23(2-7-26)30(24-3-8-27(33)9-4-24)38-29(41)17-21-11-14-39(15-12-21)19-22-13-16-40(20-22)28-10-5-25(18-37-28)31(34,35)36/h1-10,13,16,18,20-21,30H,11-12,14-15,17,19H2,(H,38,41)
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 19: 4268-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.067
BindingDB Entry DOI: 10.7270/Q2RX9C4H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50296017
PNG
(CHEMBL538936 | N-(bis(4-fluorophenyl)methyl)-2-(1-...)
Show SMILES Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cn2)C(F)(F)F)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C31H29F5N4O/c32-26-6-1-23(2-7-26)30(24-3-8-27(33)9-4-24)38-29(41)17-21-11-14-39(15-12-21)19-22-13-16-40(20-22)28-10-5-25(18-37-28)31(34,35)36/h1-10,13,16,18,20-21,30H,11-12,14-15,17,19H2,(H,38,41)
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PC sid
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4268-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.067
BindingDB Entry DOI: 10.7270/Q2RX9C4H
More data for this
Ligand-Target Pair