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BDBM50207685 CHEMBL394639::N-(1-(3-fluoro-4-(2-(isobutoxyimino)ethoxy)benzyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide

SMILES: CC(C)CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F

InChI Key: InChIKey=WGXXTIHJEXZLJF-LODFRUGASA-N

Data: 3 IC50

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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 = 50207685   
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50207685
PNG
(CHEMBL394639 | N-(1-(3-fluoro-4-(2-(isobutoxyimino...)
Show SMILES CC(C)CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C28H31F2N3O5/c1-18(2)17-37-31-9-12-36-25-6-3-19(13-23(25)30)16-33-10-7-21(8-11-33)32-28(35)27-15-24(34)22-5-4-20(29)14-26(22)38-27/h3-6,9,13-15,18,21H,7-8,10-12,16-17H2,1-2H3,(H,32,35)/b31-9+
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50207685
PNG
(CHEMBL394639 | N-(1-(3-fluoro-4-(2-(isobutoxyimino...)
Show SMILES CC(C)CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C28H31F2N3O5/c1-18(2)17-37-31-9-12-36-25-6-3-19(13-23(25)30)16-33-10-7-21(8-11-33)32-28(35)27-15-24(34)22-5-4-20(29)14-26(22)38-27/h3-6,9,13-15,18,21H,7-8,10-12,16-17H2,1-2H3,(H,32,35)/b31-9+
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n/an/a 1.98E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207685
PNG
(CHEMBL394639 | N-(1-(3-fluoro-4-(2-(isobutoxyimino...)
Show SMILES CC(C)CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C28H31F2N3O5/c1-18(2)17-37-31-9-12-36-25-6-3-19(13-23(25)30)16-33-10-7-21(8-11-33)32-28(35)27-15-24(34)22-5-4-20(29)14-26(22)38-27/h3-6,9,13-15,18,21H,7-8,10-12,16-17H2,1-2H3,(H,32,35)/b31-9+
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair