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SMILES: Cc1nc2cc(ccc2n1-c1cc2c(cc1C)C(C)(C)CCC2(C)C)C(O)=O

InChI Key: InChIKey=MTVGGNSDBDOGRH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50429862   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50429862
PNG
(CHEMBL2146900)
Show SMILES Cc1nc2cc(ccc2n1-c1cc2c(cc1C)C(C)(C)CCC2(C)C)C(O)=O |(13.72,1.99,;13.41,.48,;14.44,-.67,;13.67,-2.01,;14.15,-3.47,;13.12,-4.61,;11.61,-4.29,;11.13,-2.83,;12.16,-1.68,;12.01,-.16,;10.67,.61,;9.34,-.16,;8.01,.61,;8.01,2.15,;9.33,2.92,;10.66,2.16,;12,2.93,;6.67,2.93,;5.89,4.27,;7.44,4.27,;5.35,2.15,;5.35,.61,;6.67,-.16,;7.43,-1.49,;5.9,-1.48,;13.61,-6.08,;12.58,-7.23,;15.12,-6.4,)|
Show InChI InChI=1S/C24H28N2O2/c1-14-11-17-18(24(5,6)10-9-23(17,3)4)13-21(14)26-15(2)25-19-12-16(22(27)28)7-8-20(19)26/h7-8,11-13H,9-10H2,1-6H3,(H,27,28)
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MMDB

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Similars
Article
PubMed
n/an/an/an/a 367n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay

J Med Chem 56: 1865-77 (2013)


Article DOI: 10.1021/jm400033f
BindingDB Entry DOI: 10.7270/Q2348MR8
More data for this
Ligand-Target Pair