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Patent code US10336731

Compile Data Set for Download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406350
PNG
(US10336731, Compound 2, (+))
Show SMILES C[C@H]1C[C@]1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1
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n/an/a 380n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406346
PNG
(US10336731, Compound 1, (+))
Show SMILES C[C@H]1C[C@@]1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1
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n/an/a 398n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406351
PNG
(US10336731, Compound 2, racemic)
Show SMILES C[C@H]1CC1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1
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n/an/a 398n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406352
PNG
(US10336731, Compound 3)
Show SMILES CCc1nn(C)cc1C1(CC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C18H19ClN4O/c1-3-14-13(10-23(2)22-14)18(6-7-18)21-17(24)16-9-11-8-12(19)4-5-15(11)20-16/h4-5,8-10,20H,3,6-7H2,1-2H3,(H,21,24)
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n/an/a 437n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406353
PNG
(US10336731, Compound 4)
Show SMILES CC(C)c1nn(C)cc1C1(CC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H21ClN4O/c1-11(2)17-14(10-24(3)23-17)19(6-7-19)22-18(25)16-9-12-8-13(20)4-5-15(12)21-16/h4-5,8-11,21H,6-7H2,1-3H3,(H,22,25)
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n/an/a 447n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406355
PNG
(US10336731, Compound 6)
Show SMILES Cn1cc(cn1)C1(CC1)NC(=O)c1cc2cc(Br)cc(F)c2[nH]1
Show InChI InChI=1S/C16H14BrFN4O/c1-22-8-10(7-19-22)16(2-3-16)21-15(23)13-5-9-4-11(17)6-12(18)14(9)20-13/h4-8,20H,2-3H2,1H3,(H,21,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406348
PNG
(US10336731, Compound 1, racemic)
Show SMILES C[C@H]1CC1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1
PDB
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n/an/a 1.26E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406356
PNG
(US10336731, Compound 7, racemic)
Show SMILES C[C@H]1CC1(NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1cnn(C)c1
PDB
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n/an/a 1.35E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406345
PNG
(US10336731, Compound REF 3)
Show SMILES Cn1cc(cn1)C1(CC1)NC(=O)c1cc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C16H15BrN4O/c1-21-9-11(8-18-21)16(4-5-16)20-15(22)14-7-10-6-12(17)2-3-13(10)19-14/h2-3,6-9,19H,4-5H2,1H3,(H,20,22)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406347
PNG
(US10336731, Compound 1, (-))
Show SMILES C[C@H]1C[C@]1(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1
PDB
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406349
PNG
(US10336731, Compound 2, (-))
Show SMILES C[C@H]1C[C@@]1(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1
PDB
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n/an/a 2.88E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406343
PNG
(US10336731, Compound REF 1)
Show SMILES Cn1cc(cn1)C1(CC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C16H15ClN4O/c1-21-9-11(8-18-21)16(4-5-16)20-15(22)14-7-10-6-12(17)2-3-13(10)19-14/h2-3,6-9,19H,4-5H2,1H3,(H,20,22)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406344
PNG
(US10336731, Compound REF 2)
Show SMILES CCn1cc(cn1)C1(CC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C17H17ClN4O/c1-2-22-10-12(9-19-22)17(5-6-17)21-16(23)15-8-11-7-13(18)3-4-14(11)20-15/h3-4,7-10,20H,2,5-6H2,1H3,(H,21,23)
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n/an/a 6.76E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM406354
PNG
(US10336731, Compound 5)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NC1(CC1)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C21H17ClN4O/c22-16-6-7-18-14(10-16)11-19(24-18)20(27)25-21(8-9-21)15-12-23-26(13-15)17-4-2-1-3-5-17/h1-7,10-13,24H,8-9H2,(H,25,27)
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n/an/a 1.45E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
0.17 μM of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM ...


US Patent US10336731 (2019)


BindingDB Entry DOI: 10.7270/Q2WQ0646
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%