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BDBM50428363 CHEMBL2331729

SMILES: COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O

InChI Key: InChIKey=DNSUHQKAVILGDE-IBOMGQAISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50428363   
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))		BDBM50428363
PNG
(CHEMBL2331729)
Show SMILES COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O |r,c:18|
Show InChI InChI=1S/C31H40O8/c1-15(11-17(32)12-16(2)27(38)39-8)18-13-22(35)31(7)23-19(33)14-20-28(3,4)21(34)9-10-29(20,5)24(23)25(36)26(37)30(18,31)6/h15-16,18,20H,9-14H2,1-8H3/t15-,16?,18-,20+,29+,30+,31+/m1/s1
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Article
PubMed
n/an/a 8.90E+3n/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