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BDBM50234043 CHEMBL4086041::US9765018, Example 123

SMILES: COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(C)c2C)c(NC(=O)Nc2ccc(C)cc2)c1

InChI Key: InChIKey=OPERNRFMMQIBFR-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50234043   
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))
BDBM50234043
PNG
(CHEMBL4086041 | US9765018, Example 123)
Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(C)c2C)c(NC(=O)Nc2ccc(C)cc2)c1
Show InChI InChI=1S/C30H28N2O5/c1-18-8-12-23(13-9-18)31-30(35)32-25-17-22(21-10-14-27(36-4)24(16-21)29(33)34)11-15-28(25)37-26-7-5-6-19(2)20(26)3/h5-17H,1-4H3,(H,33,34)(H2,31,32,35)
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MMDB

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PC sid
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Patents


Similars

US Patent
n/an/a 680n/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))
BDBM50234043
PNG
(CHEMBL4086041 | US9765018, Example 123)
Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc(C)c2C)c(NC(=O)Nc2ccc(C)cc2)c1
Show InChI InChI=1S/C30H28N2O5/c1-18-8-12-23(13-9-18)31-30(35)32-25-17-22(21-10-14-27(36-4)24(16-21)29(33)34)11-15-28(25)37-26-7-5-6-19(2)20(26)3/h5-17H,1-4H3,(H,33,34)(H2,31,32,35)
PDB
MMDB

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/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