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BDBM50234071 CHEMBL4075095::US9765018, Example 73

SMILES: COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C)c(NC(=O)Nc2ccc(C)cc2)c1

InChI Key: InChIKey=JEPXNUFFZSVTLA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50234071   
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))
BDBM50234071
PNG
(CHEMBL4075095 | US9765018, Example 73)
Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C)c(NC(=O)Nc2ccc(C)cc2)c1
Show InChI InChI=1S/C29H26N2O5/c1-18-8-12-22(13-9-18)30-29(34)31-24-17-21(20-10-14-26(35-3)23(16-20)28(32)33)11-15-27(24)36-25-7-5-4-6-19(25)2/h4-17H,1-3H3,(H,32,33)(H2,30,31,34)
PDB
MMDB

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PC cid
PC sid
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Patents


Similars

US Patent
n/an/a 2.97E+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))
BDBM50234071
PNG
(CHEMBL4075095 | US9765018, Example 73)
Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C)c(NC(=O)Nc2ccc(C)cc2)c1
Show InChI InChI=1S/C29H26N2O5/c1-18-8-12-22(13-9-18)30-29(34)31-24-17-21(20-10-14-26(35-3)23(16-20)28(32)33)11-15-27(24)36-25-7-5-4-6-19(25)2/h4-17H,1-3H3,(H,32,33)(H2,30,31,34)
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 840n/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