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BDBM50234069 CHEMBL4069208::US9765018, Example 1

SMILES: Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2ccc(Cl)c(c2)C(O)=O)cc1

InChI Key: InChIKey=ISNZOFMBXQSOIU-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50234069   
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))
BDBM50234069
PNG
(CHEMBL4069208 | US9765018, Example 1)
Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2ccc(Cl)c(c2)C(O)=O)cc1
Show InChI InChI=1S/C31H29ClN2O4/c1-19-9-13-22(14-10-19)33-30(37)34-26-18-21(20-11-15-25(32)23(17-20)29(35)36)12-16-28(26)38-27-8-6-5-7-24(27)31(2,3)4/h5-18H,1-4H3,(H,35,36)(H2,33,34,37)
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MMDB

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PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 6.18E+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))
BDBM50234069
PNG
(CHEMBL4069208 | US9765018, Example 1)
Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2ccc(Cl)c(c2)C(O)=O)cc1
Show InChI InChI=1S/C31H29ClN2O4/c1-19-9-13-22(14-10-19)33-30(37)34-26-18-21(20-11-15-25(32)23(17-20)29(35)36)12-16-28(26)38-27-8-6-5-7-24(27)31(2,3)4/h5-18H,1-4H3,(H,35,36)(H2,33,34,37)
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 2.40E+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