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BDBM50234049 CHEMBL4080752::US9765018, Example 232

SMILES: CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(Cl)cc1)-c1cccc(c1)C(O)=O

InChI Key: InChIKey=SDIFUXOSOGCLGY-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50234049   
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


(Homo sapiens (Human))
BDBM50234049
PNG
(CHEMBL4080752 | US9765018, Example 232)
Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(Cl)cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C30H27ClN2O4/c1-30(2,3)24-9-4-5-10-26(24)37-27-16-11-20(19-7-6-8-21(17-19)28(34)35)18-25(27)33-29(36)32-23-14-12-22(31)13-15-23/h4-18H,1-3H3,(H,34,35)(H2,32,33,36)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 7.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50234049
PNG
(CHEMBL4080752 | US9765018, Example 232)
Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(Cl)cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C30H27ClN2O4/c1-30(2,3)24-9-4-5-10-26(24)37-27-16-11-20(19-7-6-8-21(17-19)28(34)35)18-25(27)33-29(36)32-23-14-12-22(31)13-15-23/h4-18H,1-3H3,(H,34,35)(H2,32,33,36)
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MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production preincubated with cells followed by IFN-g...


Bioorg Med Chem Lett 27: 582-585 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.015
More data for this
Ligand-Target Pair