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BDBM50383521 CHEMBL2032048

SMILES: C[C@@H]1[C@H]2CN(CCC3(CCOCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F

InChI Key: InChIKey=LXWOJMUVVLHEGE-GPMSIDNRSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50383521   
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))
BDBM50383521
PNG
(CHEMBL2032048)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCOCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C25H31F3N2O3/c1-15-19-14-30(9-5-24(23(31)32)6-10-33-11-7-24)8-4-16(19)12-21-22(15)18-13-17(25(26,27)28)2-3-20(18)29-21/h2-3,13,15-16,19,29H,4-12,14H2,1H3,(H,31,32)/t15-,16-,19-/m1/s1
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KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHR1 after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50383521
PNG
(CHEMBL2032048)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCOCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C25H31F3N2O3/c1-15-19-14-30(9-5-24(23(31)32)6-10-33-11-7-24)8-4-16(19)12-21-22(15)18-13-17(25(26,27)28)2-3-20(18)29-21/h2-3,13,15-16,19,29H,4-12,14H2,1H3,(H,31,32)/t15-,16-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human Erg expressed in HEK293 cells assessed as rubidium efflux after 4 hrs by atomic absorbance spectrometric analysis


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair