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3 similar compounds to monomer 50234073

Compile data set for download or QSAR
Wt: 298.3
BDBM50216015
Wt: 529.0
BDBM50234069
Wt: 482.5
BDBM50234071

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50216015,50234069,50234071   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50216015
PNG
(5-(benzylamino)-N-hydroxybenzo[b]thiophene-2-carbo...)
Show SMILES ONC(=O)c1cc2cc(NCc3ccccc3)ccc2s1
Show InChI InChI=1S/C16H14N2O2S/c19-16(18-20)15-9-12-8-13(6-7-14(12)21-15)17-10-11-4-2-1-3-5-11/h1-9,17,20H,10H2,(H,18,19)
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Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 17: 4562-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.091
BindingDB Entry DOI: 10.7270/Q2CC10C4
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)
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Article
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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
BindingDB Entry DOI: 10.7270/Q2QN6914
More data for this
Ligand-Target Pair
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)
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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)


BindingDB Entry DOI: 10.7270/Q2KP849H
More data for this
Ligand-Target Pair
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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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)


BindingDB Entry DOI: 10.7270/Q2KP849H
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)
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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
BindingDB Entry DOI: 10.7270/Q2QN6914
More data for this
Ligand-Target Pair