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SMILES: CC(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2

InChI Key: InChIKey=WSFIOGVBONUBSC-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514615   
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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50514615
PNG
(CHEMBL4520765)
Show SMILES CC(C)OC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r|
Show InChI InChI=1S/C25H27BrN4O4/c1-15(2)33-24(32)30-10-8-25(9-11-30)13-20(19-12-17(26)6-7-21(19)34-25)28-23(31)18-5-3-4-16-14-27-29-22(16)18/h3-7,12,14-15,20H,8-11,13H2,1-2H3,(H,27,29)(H,28,31)/t20-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay

J Med Chem 63: 3552-3562 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01799
More data for this
Ligand-Target Pair