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Compile Data Set for Download or QSAR

Found 16 hits of ec50 for UniProtKB: Q9HC29   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50164885
PNG
(CHEBI:59414 | MURAMYLDIPEPTIDE | muramyldipeptide)
Show SMILES C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1
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n/an/an/an/a 46n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at NOD2 receptor (unknown origin) expressed in HEK-Blue cells assessed as NF-kappaB transcriptional activity after 18 hrs by secrete...


Eur J Med Chem 116: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.030
BindingDB Entry DOI: 10.7270/Q2ZK5JJV
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245040
PNG
(CHEMBL4090558)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1ccc(O)c(OC)c1)C(C)C)C(=O)OCC
Show InChI InChI=1S/C26H37N3O9/c1-6-37-23(33)13-10-18(26(35)38-7-2)28-25(34)24(16(3)4)29-22(32)15-27-21(31)12-9-17-8-11-19(30)20(14-17)36-5/h8-9,11-12,14,16,18,24,30H,6-7,10,13,15H2,1-5H3,(H,27,31)(H,28,34)(H,29,32)/b12-9+/t18-,24+/m1/s1
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n/an/an/an/a 46n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50164885
PNG
(CHEBI:59414 | MURAMYLDIPEPTIDE | muramyldipeptide)
Show SMILES C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1
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n/an/an/an/a 92n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245097
PNG
(CHEMBL4060406)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)\C=C\c1ccc(O)c(OC)c1)C(=O)OCC
Show InChI InChI=1S/C30H37N3O9/c1-4-41-28(37)16-13-22(30(39)42-5-2)33-29(38)23(17-20-9-7-6-8-10-20)32-27(36)19-31-26(35)15-12-21-11-14-24(34)25(18-21)40-3/h6-12,14-15,18,22-23,34H,4-5,13,16-17,19H2,1-3H3,(H,31,35)(H,32,36)(H,33,38)/b15-12+/t22-,23+/m1/s1
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n/an/an/an/a 121n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245074
PNG
(CHEMBL4094910)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)\C=C\c1ccc(F)c(F)c1)C(=O)OCC
Show InChI InChI=1S/C29H33F2N3O7/c1-3-40-27(37)15-13-23(29(39)41-4-2)34-28(38)24(17-19-8-6-5-7-9-19)33-26(36)18-32-25(35)14-11-20-10-12-21(30)22(31)16-20/h5-12,14,16,23-24H,3-4,13,15,17-18H2,1-2H3,(H,32,35)(H,33,36)(H,34,38)/b14-11+/t23-,24+/m1/s1
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n/an/an/an/a 172n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245104
PNG
(CHEMBL4068530)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1ccc(F)c(F)c1)C(C)C)C(=O)OCC
Show InChI InChI=1S/C25H33F2N3O7/c1-5-36-22(33)12-10-19(25(35)37-6-2)29-24(34)23(15(3)4)30-21(32)14-28-20(31)11-8-16-7-9-17(26)18(27)13-16/h7-9,11,13,15,19,23H,5-6,10,12,14H2,1-4H3,(H,28,31)(H,29,34)(H,30,32)/b11-8+/t19-,23+/m1/s1
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n/an/an/an/a 172n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245038
PNG
(CHEMBL4059862)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1ccccc1)C(C)C)C(=O)OCC
Show InChI InChI=1S/C25H35N3O7/c1-5-34-22(31)15-13-19(25(33)35-6-2)27-24(32)23(17(3)4)28-21(30)16-26-20(29)14-12-18-10-8-7-9-11-18/h7-12,14,17,19,23H,5-6,13,15-16H2,1-4H3,(H,26,29)(H,27,32)(H,28,30)/b14-12+/t19-,23+/m1/s1
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n/an/an/an/a 223n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Binding affinity at [3H]QNB radiolabeled muscarinic M2 receptor in rat heart.


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245039
PNG
(CHEMBL4069541)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C1CC1c1ccc(F)c(F)c1)C(C)C)C(=O)OCC
Show InChI InChI=1S/C26H35F2N3O7/c1-5-37-22(33)10-9-20(26(36)38-6-2)30-25(35)23(14(3)4)31-21(32)13-29-24(34)17-12-16(17)15-7-8-18(27)19(28)11-15/h7-8,11,14,16-17,20,23H,5-6,9-10,12-13H2,1-4H3,(H,29,34)(H,30,35)(H,31,32)/t16?,17?,20-,23+/m1/s1
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n/an/an/an/a 247n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245075
PNG
(CHEMBL4088641)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C1CC1c1ccc(F)c(F)c1)C(=O)OCC
Show InChI InChI=1S/C30H35F2N3O7/c1-3-41-27(37)13-12-24(30(40)42-4-2)35-29(39)25(14-18-8-6-5-7-9-18)34-26(36)17-33-28(38)21-16-20(21)19-10-11-22(31)23(32)15-19/h5-11,15,20-21,24-25H,3-4,12-14,16-17H2,1-2H3,(H,33,38)(H,34,36)(H,35,39)/t20?,21?,24-,25+/m1/s1
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n/an/an/an/a 276n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245096
PNG
(CHEMBL4098290)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)\C=C\c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C29H35N3O7/c1-3-38-27(35)18-16-23(29(37)39-4-2)32-28(36)24(19-22-13-9-6-10-14-22)31-26(34)20-30-25(33)17-15-21-11-7-5-8-12-21/h5-15,17,23-24H,3-4,16,18-20H2,1-2H3,(H,30,33)(H,31,34)(H,32,36)/b17-15+/t23-,24+/m1/s1
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n/an/an/an/a 388n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245073
PNG
(CHEMBL4074427)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C30H37N3O7/c1-3-39-27(35)16-15-24(30(38)40-4-2)33-29(37)25(17-20-11-7-5-8-12-20)32-26(34)19-31-28(36)23-18-22(23)21-13-9-6-10-14-21/h5-14,22-25H,3-4,15-19H2,1-2H3,(H,31,36)(H,32,34)(H,33,37)/t22-,23+,24+,25-/m0/s1
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n/an/an/an/a 472n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine transporter in rat striatal membranes.


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245041
PNG
(CHEMBL4080248)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cc2ccc(cc2[nH]1)-c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C35H38N4O7/c1-3-45-32(41)18-17-27(35(44)46-4-2)39-34(43)29(19-23-11-7-5-8-12-23)38-31(40)22-36-33(42)30-21-26-16-15-25(20-28(26)37-30)24-13-9-6-10-14-24/h5-16,20-21,27,29,37H,3-4,17-19,22H2,1-2H3,(H,36,42)(H,38,40)(H,39,43)/t27-,29+/m1/s1
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n/an/an/an/a 777n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245076
PNG
(CHEMBL4080766)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)\C=C\c1ccc(O)c(OC)c1)C(=O)OCC
Show InChI InChI=1S/C24H33N3O9/c1-5-35-22(31)12-9-17(24(33)36-6-2)27-23(32)15(3)26-21(30)14-25-20(29)11-8-16-7-10-18(28)19(13-16)34-4/h7-8,10-11,13,15,17,28H,5-6,9,12,14H2,1-4H3,(H,25,29)(H,26,30)(H,27,32)/b11-8+/t15-,17+/m0/s1
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n/an/an/an/a 2.79E+3n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50164886
PNG
(CHEMBL3798250)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c1cc2ccc(cc2[nH]1)-c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C29H34N4O7/c1-4-39-26(35)14-13-22(29(38)40-5-2)33-27(36)18(3)31-25(34)17-30-28(37)24-16-21-12-11-20(15-23(21)32-24)19-9-7-6-8-10-19/h6-12,15-16,18,22,32H,4-5,13-14,17H2,1-3H3,(H,30,37)(H,31,34)(H,33,36)/t18-,22+/m0/s1
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n/an/an/an/a 2.88E+3n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at NOD2 receptor (unknown origin) expressed in HEK-Blue cells assessed as NF-kappaB transcriptional activity after 18 hrs by secrete...


Eur J Med Chem 116: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.030
BindingDB Entry DOI: 10.7270/Q2ZK5JJV
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50164886
PNG
(CHEMBL3798250)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c1cc2ccc(cc2[nH]1)-c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C29H34N4O7/c1-4-39-26(35)14-13-22(29(38)40-5-2)33-27(36)18(3)31-25(34)17-30-28(37)24-16-21-12-11-20(15-23(21)32-24)19-9-7-6-8-10-19/h6-12,15-16,18,22,32H,4-5,13-14,17H2,1-3H3,(H,30,37)(H,31,34)(H,33,36)/t18-,22+/m0/s1
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n/an/an/an/a 2.88E+3n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM50245095
PNG
(CHEMBL4098806)
Show SMILES COc1cc(\C=C\C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCC(O)=O)C(O)=O)ccc1O
Show InChI InChI=1S/C22H29N3O9/c1-12(2)20(21(31)24-14(22(32)33)6-9-19(29)30)25-18(28)11-23-17(27)8-5-13-4-7-15(26)16(10-13)34-3/h4-5,7-8,10,12,14,20,26H,6,9,11H2,1-3H3,(H,23,27)(H,24,31)(H,25,28)(H,29,30)(H,32,33)/b8-5+/t14-,20+/m1/s1
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n/an/an/an/a 6.98E+3n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene...


J Med Chem 61: 2707-2724 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01052
BindingDB Entry DOI: 10.7270/Q26M397P
More data for this
Ligand-Target Pair