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21 similar compounds to monomer 50239716

Compile data set for download or QSAR
Wt: 628.5
BDBM50239700
Wt: 595.0
BDBM50239701
Wt: 616.7
BDBM50239702
Wt: 610.6
BDBM50239703
Wt: 573.6
BDBM50239704
Wt: 587.6
BDBM50239705
Wt: 613.7
BDBM50239706
Wt: 601.6
BDBM50239707
Wt: 601.6
BDBM50239708
Wt: 663.9
BDBM50239709
Wt: 595.0
BDBM50239710
Wt: 595.0
BDBM50239711
Wt: 596.5
BDBM50239712
Wt: 578.5
BDBM50239713
Wt: 639.4
BDBM50239714
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50239700,50239701,50239702,50239703,50239704,50239705,50239706,50239707,50239708,50239709,50239710,50239711,50239712,50239713,50239714   
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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239700
PNG
(CHEMBL4065255)
Show SMILES COC(=O)CC[C@@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(cc3)C(F)(F)F)cc2NC1=O
Show InChI InChI=1/C31H31F3N4O7/c1-38(2)20-5-4-6-21(13-20)45-26-14-22-24(37-30(42)23(36-29(22)41)11-12-28(40)43-3)15-25(26)35-27(39)17-44-16-18-7-9-19(10-8-18)31(32,33)34/h4-10,13-15,23H,11-12,16-17H2,1-3H3,(H,35,39)(H,36,41)(H,37,42)/t23-/s2
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n/an/a 580n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239713
PNG
(CHEMBL4065600)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3cccc(F)c3)cc2NC1=O
Show InChI InChI=1/C30H31FN4O7/c1-35(2)20-8-5-9-21(13-20)42-26-14-22-24(34-30(39)23(33-29(22)38)10-11-28(37)40-3)15-25(26)32-27(36)17-41-16-18-6-4-7-19(31)12-18/h4-9,12-15,23H,10-11,16-17H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t23-/s2
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n/an/a 4.02E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239702
PNG
(CHEMBL4093654)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(cc3)C(C)(C)C)cc2NC1=O
Show InChI InChI=1/C34H40N4O7/c1-34(2,3)22-12-10-21(11-13-22)19-44-20-30(39)35-28-18-27-25(17-29(28)45-24-9-7-8-23(16-24)38(4)5)32(41)36-26(33(42)37-27)14-15-31(40)43-6/h7-13,16-18,26H,14-15,19-20H2,1-6H3,(H,35,39)(H,36,41)(H,37,42)/t26-/s2
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n/an/a 1.96E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239702
PNG
(CHEMBL4093654)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(cc3)C(C)(C)C)cc2NC1=O
Show InChI InChI=1/C34H40N4O7/c1-34(2,3)22-12-10-21(11-13-22)19-44-20-30(39)35-28-18-27-25(17-29(28)45-24-9-7-8-23(16-24)38(4)5)32(41)36-26(33(42)37-27)14-15-31(40)43-6/h7-13,16-18,26H,14-15,19-20H2,1-6H3,(H,35,39)(H,36,41)(H,37,42)/t26-/s2
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n/an/a 2.39E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239703
PNG
(CHEMBL4066081)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc4ccccc4c3)cc2NC1=O
Show InChI InChI=1/C34H34N4O7/c1-38(2)24-9-6-10-25(16-24)45-30-17-26-28(37-34(42)27(36-33(26)41)13-14-32(40)43-3)18-29(30)35-31(39)20-44-19-21-11-12-22-7-4-5-8-23(22)15-21/h4-12,15-18,27H,13-14,19-20H2,1-3H3,(H,35,39)(H,36,41)(H,37,42)/t27-/s2
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n/an/a 1.61E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239703
PNG
(CHEMBL4066081)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc4ccccc4c3)cc2NC1=O
Show InChI InChI=1/C34H34N4O7/c1-38(2)24-9-6-10-25(16-24)45-30-17-26-28(37-34(42)27(36-33(26)41)13-14-32(40)43-3)18-29(30)35-31(39)20-44-19-21-11-12-22-7-4-5-8-23(22)15-21/h4-12,15-18,27H,13-14,19-20H2,1-3H3,(H,35,39)(H,36,41)(H,37,42)/t27-/s2
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n/an/a 1.58E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239704
PNG
(CHEMBL4095985)
Show SMILES CN(C)C(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C31H35N5O6/c1-35(2)21-11-8-12-22(15-21)42-27-16-23-25(34-31(40)24(33-30(23)39)13-14-29(38)36(3)4)17-26(27)32-28(37)19-41-18-20-9-6-5-7-10-20/h5-12,15-17,24H,13-14,18-19H2,1-4H3,(H,32,37)(H,33,39)(H,34,40)/t24-/s2
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n/an/a 4.95E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239705
PNG
(CHEMBL4068672)
Show SMILES CCCNC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C32H37N5O6/c1-4-15-33-29(38)14-13-25-32(41)36-26-18-27(34-30(39)20-42-19-21-9-6-5-7-10-21)28(17-24(26)31(40)35-25)43-23-12-8-11-22(16-23)37(2)3/h5-12,16-18,25H,4,13-15,19-20H2,1-3H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t25-/s2
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n/an/a 2.36E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase in 40% TFE


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239705
PNG
(CHEMBL4068672)
Show SMILES CCCNC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C32H37N5O6/c1-4-15-33-29(38)14-13-25-32(41)36-26-18-27(34-30(39)20-42-19-21-9-6-5-7-10-21)28(17-24(26)31(40)35-25)43-23-12-8-11-22(16-23)37(2)3/h5-12,16-18,25H,4,13-15,19-20H2,1-3H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t25-/s2
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n/an/a 4.16E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239706
PNG
(CHEMBL4080402)
Show SMILES CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)N4CCCCC4)NC3=O)cc2NC(=O)COCc2ccccc2)c1
Show InChI InChI=1/C34H39N5O6/c1-38(2)24-12-9-13-25(18-24)45-30-19-26-28(20-29(30)35-31(40)22-44-21-23-10-5-3-6-11-23)37-34(43)27(36-33(26)42)14-15-32(41)39-16-7-4-8-17-39/h3,5-6,9-13,18-20,27H,4,7-8,14-17,21-22H2,1-2H3,(H,35,40)(H,36,42)(H,37,43)/t27-/s2
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n/an/a 1.11E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239707
PNG
(CHEMBL4090701)
Show SMILES CCN(CC)C(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C33H39N5O6/c1-5-38(6-2)31(40)16-15-26-33(42)36-27-19-28(34-30(39)21-43-20-22-11-8-7-9-12-22)29(18-25(27)32(41)35-26)44-24-14-10-13-23(17-24)37(3)4/h7-14,17-19,26H,5-6,15-16,20-21H2,1-4H3,(H,34,39)(H,35,41)(H,36,42)/t26-/s2
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n/an/a 1.27E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239708
PNG
(CHEMBL4069701)
Show SMILES CCCCNC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C33H39N5O6/c1-4-5-16-34-30(39)15-14-26-33(42)37-27-19-28(35-31(40)21-43-20-22-10-7-6-8-11-22)29(18-25(27)32(41)36-26)44-24-13-9-12-23(17-24)38(2)3/h6-13,17-19,26H,4-5,14-16,20-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t26-/s2
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n/an/a 2.88E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239708
PNG
(CHEMBL4069701)
Show SMILES CCCCNC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C33H39N5O6/c1-4-5-16-34-30(39)15-14-26-33(42)37-27-19-28(35-31(40)21-43-20-22-10-7-6-8-11-22)29(18-25(27)32(41)36-26)44-24-13-9-12-23(17-24)38(2)3/h6-13,17-19,26H,4-5,14-16,20-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t26-/s2
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n/an/a 1.29E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239709
PNG
(CHEMBL4061018)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cc(Cl)c(Cl)c(N(C)C)c3Cl)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C30H29Cl3N4O7/c1-37(2)28-26(32)18(31)12-23(27(28)33)44-22-11-17-20(36-30(41)19(35-29(17)40)9-10-25(39)42-3)13-21(22)34-24(38)15-43-14-16-7-5-4-6-8-16/h4-8,11-13,19H,9-10,14-15H2,1-3H3,(H,34,38)(H,35,40)(H,36,41)/t19-/s2
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n/an/a 1.33E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239710
PNG
(CHEMBL4092451)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cc(Cl)cc(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C30H31ClN4O7/c1-35(2)20-11-19(31)12-21(13-20)42-26-14-22-24(34-30(39)23(33-29(22)38)9-10-28(37)40-3)15-25(26)32-27(36)17-41-16-18-7-5-4-6-8-18/h4-8,11-15,23H,9-10,16-17H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t23-/s2
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n/an/a 5.05E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239711
PNG
(CHEMBL4065789)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3ccc(Cl)c(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C30H31ClN4O7/c1-35(2)25-13-19(9-10-21(25)31)42-26-14-20-23(34-30(39)22(33-29(20)38)11-12-28(37)40-3)15-24(26)32-27(36)17-41-16-18-7-5-4-6-8-18/h4-10,13-15,22H,11-12,16-17H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t22-/s2
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n/an/a 3.55E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239712
PNG
(CHEMBL4102685)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(F)c(F)c3)cc2NC1=O
Show InChI InChI=1/C30H30F2N4O7/c1-36(2)18-5-4-6-19(12-18)43-26-13-20-24(35-30(40)23(34-29(20)39)9-10-28(38)41-3)14-25(26)33-27(37)16-42-15-17-7-8-21(31)22(32)11-17/h4-8,11-14,23H,9-10,15-16H2,1-3H3,(H,33,37)(H,34,39)(H,35,40)/t23-/s2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239713
PNG
(CHEMBL4065600)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3cccc(F)c3)cc2NC1=O
Show InChI InChI=1/C30H31FN4O7/c1-35(2)20-8-5-9-21(13-20)42-26-14-22-24(34-30(39)23(33-29(22)38)10-11-28(37)40-3)15-25(26)32-27(36)17-41-16-18-6-4-7-19(31)12-18/h4-9,12-15,23H,10-11,16-17H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t23-/s2
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n/an/a 1.37E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239714
PNG
(CHEMBL4094948)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3cccc(Br)c3)cc2NC1=O
Show InChI InChI=1/C30H31BrN4O7/c1-35(2)20-8-5-9-21(13-20)42-26-14-22-24(34-30(39)23(33-29(22)38)10-11-28(37)40-3)15-25(26)32-27(36)17-41-16-18-6-4-7-19(31)12-18/h4-9,12-15,23H,10-11,16-17H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t23-/s2
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n/an/a 1.33E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239714
PNG
(CHEMBL4094948)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3cccc(Br)c3)cc2NC1=O
Show InChI InChI=1/C30H31BrN4O7/c1-35(2)20-8-5-9-21(13-20)42-26-14-22-24(34-30(39)23(33-29(22)38)10-11-28(37)40-3)15-25(26)32-27(36)17-41-16-18-6-4-7-19(31)12-18/h4-9,12-15,23H,10-11,16-17H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t23-/s2
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n/an/a 2.28E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239706
PNG
(CHEMBL4080402)
Show SMILES CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)N4CCCCC4)NC3=O)cc2NC(=O)COCc2ccccc2)c1
Show InChI InChI=1/C34H39N5O6/c1-38(2)24-12-9-13-25(18-24)45-30-19-26-28(20-29(30)35-31(40)22-44-21-23-10-5-3-6-11-23)37-34(43)27(36-33(26)42)14-15-32(41)39-16-7-4-8-17-39/h3,5-6,9-13,18-20,27H,4,7-8,14-17,21-22H2,1-2H3,(H,35,40)(H,36,42)(H,37,43)/t27-/s2
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n/an/a 2.99E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239700
PNG
(CHEMBL4065255)
Show SMILES COC(=O)CC[C@@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(cc3)C(F)(F)F)cc2NC1=O
Show InChI InChI=1/C31H31F3N4O7/c1-38(2)20-5-4-6-21(13-20)45-26-14-22-24(37-30(42)23(36-29(22)41)11-12-28(40)43-3)15-25(26)35-27(39)17-44-16-18-7-9-19(10-8-18)31(32,33)34/h4-10,13-15,23H,11-12,16-17H2,1-3H3,(H,35,39)(H,36,41)(H,37,42)/t23-/s2
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n/an/a 590n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239701
PNG
(CHEMBL4103835)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(Cl)cc3)cc2NC1=O
Show InChI InChI=1/C30H31ClN4O7/c1-35(2)20-5-4-6-21(13-20)42-26-14-22-24(34-30(39)23(33-29(22)38)11-12-28(37)40-3)15-25(26)32-27(36)17-41-16-18-7-9-19(31)10-8-18/h4-10,13-15,23H,11-12,16-17H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t23-/s2
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n/an/a 610n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239711
PNG
(CHEMBL4065789)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3ccc(Cl)c(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C30H31ClN4O7/c1-35(2)25-13-19(9-10-21(25)31)42-26-14-20-23(34-30(39)22(33-29(20)38)11-12-28(37)40-3)15-24(26)32-27(36)17-41-16-18-7-5-4-6-8-18/h4-10,13-15,22H,11-12,16-17H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t22-/s2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239707
PNG
(CHEMBL4090701)
Show SMILES CCN(CC)C(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C33H39N5O6/c1-5-38(6-2)31(40)16-15-26-33(42)36-27-19-28(34-30(39)21-43-20-22-11-8-7-9-12-22)29(18-25(27)32(41)35-26)44-24-14-10-13-23(17-24)37(3)4/h7-14,17-19,26H,5-6,15-16,20-21H2,1-4H3,(H,34,39)(H,35,41)(H,36,42)/t26-/s2
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n/an/a 3.41E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239709
PNG
(CHEMBL4061018)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cc(Cl)c(Cl)c(N(C)C)c3Cl)c(NC(=O)COCc3ccccc3)cc2NC1=O
Show InChI InChI=1/C30H29Cl3N4O7/c1-37(2)28-26(32)18(31)12-23(27(28)33)44-22-11-17-20(36-30(41)19(35-29(17)40)9-10-25(39)42-3)13-21(22)34-24(38)15-43-14-16-7-5-4-6-8-16/h4-8,11-13,19H,9-10,14-15H2,1-3H3,(H,34,38)(H,35,40)(H,36,41)/t19-/s2
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n/an/a 3.78E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50239712
PNG
(CHEMBL4102685)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(F)c(F)c3)cc2NC1=O
Show InChI InChI=1/C30H30F2N4O7/c1-36(2)18-5-4-6-19(12-18)43-26-13-20-24(35-30(40)23(34-29(20)39)9-10-28(38)41-3)14-25(26)33-27(37)16-42-15-17-7-8-21(31)22(32)11-17/h4-8,11-14,23H,9-10,15-16H2,1-3H3,(H,33,37)(H,34,39)(H,35,40)/t23-/s2
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n/an/a 1.16E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50239701
PNG
(CHEMBL4103835)
Show SMILES COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(Cl)cc3)cc2NC1=O
Show InChI InChI=1/C30H31ClN4O7/c1-35(2)20-5-4-6-21(13-20)42-26-14-22-24(34-30(39)23(33-29(22)38)11-12-28(37)40-3)15-25(26)32-27(36)17-41-16-18-7-9-19(31)10-8-18/h4-10,13-15,23H,11-12,16-17H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t23-/s2
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n/an/a 1.24E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase


J Med Chem 60: 5162-5192 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00608
BindingDB Entry DOI: 10.7270/Q21N839S
More data for this
Ligand-Target Pair