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SMILES: CC(CC(=O)C[C@@H](C)C1=CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(O)=O

InChI Key: InChIKey=YBFMHFRKIFVPJA-LRGPFVJBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50428359   
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
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50428359
PNG
(CHEMBL2331734)
Show SMILES CC(CC(=O)C[C@@H](C)C1=CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(O)=O |r,c:14,t:8|
Show InChI InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h12,15-16,19,21,32H,8-11,13-14H2,1-7H3,(H,36,37)/t15-,16?,19+,21+,28+,29-,30+/m1/s1
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



National Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis

J Nat Prod 76: 489-94 (2013)


Article DOI: 10.1021/np300443p
BindingDB Entry DOI: 10.7270/Q2PG1T1D
More data for this
Ligand-Target Pair