Compile Data Set for Download or QSAR

Found 966 hits Enz. Inhib. hit(s) with Target = 'Nucleotide-binding oligomerization domain-containing protein 2'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564984 (CHEMBL4781373) Show SMILES CCCS(=O)(=O)Nc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568933 (CHEMBL4847211) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CC(C)C)c3n2)cc1 |(1.53,-6.82,;2.86,-6.05,;4.2,-6.82,;4.2,-8.36,;2.86,-9.13,;5.53,-6.05,;6.87,-6.82,;8.2,-6.05,;9.53,-6.82,;9.53,-8.37,;10.86,-9.14,;12.2,-8.36,;13.54,-9.13,;14.87,-8.36,;14.86,-6.82,;16.18,-6.05,;17.53,-6.82,;18.86,-6.04,;20.2,-6.83,;21.53,-6.06,;21.54,-4.53,;20.2,-3.76,;22.87,-3.76,;24.21,-4.54,;24.2,-6.08,;22.86,-6.84,;22.85,-8.38,;20.19,-8.37,;21.52,-9.15,;18.85,-9.13,;18.84,-10.67,;17.5,-11.44,;16.17,-10.66,;17.5,-12.98,;17.52,-8.36,;16.2,-9.13,;12.2,-6.81,;10.86,-6.05,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568927 (CHEMBL4853179) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50516677 (CHEMBL4514780) Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human NOD2 expressed in HEK293 cells assessed as reduction in MDP-induced IL8 production measured after 22 hrs by HTRF fluorescence ass...				J Med Chem 62: 6482-6494 (2019) Article DOI: 10.1021/acs.jmedchem.9b00575 BindingDB Entry DOI: 10.7270/Q2WS8XKF
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568929 (CHEMBL4870434) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(O)cc4)c(=O)n(C)c3n2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568934 (CHEMBL4864576) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4cccc(c4)S(C)(=O)=O)c3n2)cc1 |(26.34,-6.01,;27.68,-5.24,;29.01,-6.01,;29.01,-7.55,;27.68,-8.32,;30.34,-5.24,;31.68,-6,;33.01,-5.23,;34.34,-6,;34.34,-7.55,;35.68,-8.32,;37.01,-7.55,;38.35,-8.32,;39.68,-7.54,;39.67,-6.01,;40.99,-5.23,;42.34,-6,;43.67,-5.23,;45.01,-6.01,;46.35,-5.25,;46.35,-3.71,;45.01,-2.94,;47.68,-2.94,;49.02,-3.72,;49.01,-5.26,;47.67,-6.02,;47.66,-7.56,;45,-7.55,;46.33,-8.33,;43.66,-8.32,;43.65,-9.86,;42.32,-10.62,;40.99,-9.84,;39.66,-10.6,;39.65,-12.14,;40.99,-12.92,;42.32,-12.15,;40.98,-14.45,;39.65,-15.22,;42.47,-14.05,;42.07,-15.54,;42.33,-7.54,;41.01,-8.31,;37.01,-6,;35.67,-5.23,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568932 (CHEMBL4858463) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccccc4)c3n2)cc1 |(58.86,-44.1,;60.19,-43.33,;61.53,-44.1,;61.53,-45.64,;60.19,-46.41,;62.86,-43.33,;64.19,-44.1,;65.53,-43.33,;66.86,-44.1,;66.86,-45.64,;68.19,-46.41,;69.53,-45.64,;70.87,-46.41,;72.2,-45.64,;72.19,-44.1,;73.51,-43.33,;74.86,-44.1,;76.19,-43.32,;77.53,-44.1,;78.86,-43.34,;78.86,-41.81,;77.53,-41.04,;80.2,-41.04,;81.54,-41.82,;81.53,-43.36,;80.19,-44.12,;80.18,-45.66,;77.52,-45.65,;78.85,-46.43,;76.18,-46.41,;76.17,-47.95,;74.83,-48.72,;73.51,-47.93,;72.17,-48.69,;72.17,-50.24,;73.51,-51.01,;74.84,-50.25,;74.85,-45.64,;73.53,-46.41,;69.53,-44.09,;68.19,-43.33,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568931 (CHEMBL4859716) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CCOC)c3n2)cc1 |(30.47,-43.28,;31.8,-42.51,;33.14,-43.28,;33.14,-44.82,;31.81,-45.59,;34.47,-42.51,;35.81,-43.28,;37.14,-42.51,;38.47,-43.28,;38.47,-44.83,;39.81,-45.6,;41.14,-44.83,;42.48,-45.59,;43.81,-44.82,;43.8,-43.29,;45.12,-42.51,;46.47,-43.28,;47.8,-42.51,;49.14,-43.29,;50.47,-42.52,;51.8,-43.3,;51.79,-44.84,;53.14,-42.54,;53.15,-41,;51.81,-40.22,;50.48,-40.99,;49.14,-40.22,;49.13,-44.83,;50.46,-45.61,;47.79,-45.6,;47.78,-47.14,;46.44,-47.9,;46.44,-49.44,;45.1,-50.2,;46.46,-44.82,;45.14,-45.59,;41.14,-43.28,;39.8,-42.51,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50516677 (CHEMBL4514780) Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NOD2 in human monocytes assessed as reduction in MDP-induced TNFalpha production preincubated for 30 mins followed by MDP-stimulation a...				J Med Chem 62: 6482-6494 (2019) Article DOI: 10.1021/acs.jmedchem.9b00575 BindingDB Entry DOI: 10.7270/Q2WS8XKF
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM4067 (2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-meth...) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(C)c3n2)cc1 Show InChI InChI=1S/C26H29N5O2/c1-4-31(5-2)15-16-33-22-13-11-21(12-14-22)28-26-27-18-20-17-23(19-9-7-6-8-10-19)25(32)30(3)24(20)29-26/h6-14,17-18H,4-5,15-16H2,1-3H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM4077 (2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-ethy...) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CC)c3n2)cc1 Show InChI InChI=1S/C27H31N5O2/c1-4-31(5-2)16-17-34-23-14-12-22(13-15-23)29-27-28-19-21-18-24(20-10-8-7-9-11-20)26(33)32(6-3)25(21)30-27/h7-15,18-19H,4-6,16-17H2,1-3H3,(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564997 (CHEMBL4799077) Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568937 (CHEMBL4861488) Show SMILES Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccccc2Cl)c1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568936 (CHEMBL4864600) Show SMILES Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(31.78,-28.56,;31.78,-27.03,;30.46,-26.25,;29.13,-27.02,;27.81,-26.25,;26.47,-27.02,;25.14,-26.26,;23.8,-27.03,;22.47,-26.26,;22.47,-24.71,;23.8,-23.94,;25.13,-24.71,;23.79,-22.4,;25.13,-21.63,;22.3,-21.99,;23.39,-20.9,;27.79,-24.72,;29.12,-23.94,;30.46,-24.71,;31.8,-23.94,;33.13,-24.72,;34.47,-23.96,;34.47,-22.42,;33.14,-21.65,;35.8,-21.65,;37.14,-22.43,;37.13,-23.97,;35.79,-24.73,;35.78,-26.27,;33.13,-26.26,;34.45,-27.04,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564987 (CHEMBL4789724) Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62288 (4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(tr...) Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C24H21F3N2O2/c25-24(26,27)31-22-11-9-21(10-12-22)28-23(30)19-7-5-17(6-8-19)15-29-14-13-18-3-1-2-4-20(18)16-29/h1-12H,13-16H2,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...				ACS Med Chem Lett 2: 780-785 (2011) Article DOI: 10.1021/ml200158b BindingDB Entry DOI: 10.7270/Q2H9966Z
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62288 (4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(tr...) Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C24H21F3N2O2/c25-24(26,27)31-22-11-9-21(10-12-22)28-23(30)19-7-5-17(6-8-19)15-29-14-13-18-3-1-2-4-20(18)16-29/h1-12H,13-16H2,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay				J Med Chem 57: 6897-918 (2014) Article DOI: 10.1021/jm401841p BindingDB Entry DOI: 10.7270/Q2PV6N0K
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54356 (2-bromobenzoic acid [2-[2,5-dimethyl-1-(2-oxolanyl...) Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1 Show InChI InChI=1S/C20H22BrNO4/c1-13-10-17(14(2)22(13)11-15-6-5-9-25-15)19(23)12-26-20(24)16-7-3-4-8-18(16)21/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM3096 (2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564988 (CHEMBL4793153) Show SMILES CCCS(=O)(=O)Nc1cc(cc(Cl)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564979 (CHEMBL4795976) Show SMILES CCOc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564978 (CHEMBL4776631) Show SMILES COc1cc(NS(=O)(=O)c2ccccc2)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568942 (CHEMBL4874031) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccc(cc4)S(C)(=O)=O)c3n2)cc1 |(54.68,-6.89,;56.02,-6.11,;57.35,-6.88,;57.35,-8.42,;56.02,-9.19,;58.68,-6.11,;60.02,-6.88,;61.35,-6.11,;62.69,-6.88,;62.68,-8.43,;64.02,-9.2,;65.36,-8.43,;66.69,-9.19,;68.02,-8.42,;68.01,-6.89,;69.34,-6.11,;70.68,-6.88,;72.01,-6.11,;73.35,-6.89,;74.69,-6.12,;74.69,-4.59,;73.36,-3.82,;76.02,-3.82,;77.36,-4.6,;77.35,-6.14,;76.01,-6.9,;76.01,-8.44,;73.34,-8.43,;74.67,-9.21,;72,-9.2,;72,-10.74,;70.66,-11.5,;69.33,-10.72,;68,-11.48,;67.99,-13.02,;69.33,-13.8,;70.66,-13.03,;66.65,-13.78,;65.32,-13.01,;67.41,-15.11,;65.88,-15.11,;70.68,-8.42,;69.35,-9.19,;65.35,-6.88,;64.01,-6.11,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54367 (2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxya...) Show SMILES COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(OC)cc1 |w:22.25| Show InChI InChI=1S/C22H20N4O4S/c1-13(23-14-8-10-15(29-2)11-9-14)20-17(12-19(27)30-3)25-26(21(20)28)22-24-16-6-4-5-7-18(16)31-22/h4-11,25H,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564977 (CHEMBL4781705) Show SMILES COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564986 (CHEMBL4788375) Show SMILES CCCS(=O)(=O)Nc1cc(cc(C)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568935 (CHEMBL4868894) Show SMILES Cn1c2nc(Nc3ccc(cc3)S(C)(=O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(13.36,-27.74,;13.37,-26.2,;12.04,-25.43,;10.72,-26.2,;9.39,-25.43,;8.06,-26.2,;6.72,-25.43,;5.39,-26.2,;4.05,-25.43,;4.06,-23.89,;5.38,-23.12,;6.72,-23.88,;2.72,-23.12,;1.39,-23.89,;1.94,-21.78,;3.49,-21.78,;9.38,-23.89,;10.7,-23.12,;12.05,-23.89,;13.38,-23.11,;14.72,-23.9,;16.05,-23.13,;16.05,-21.6,;14.72,-20.83,;17.38,-20.83,;18.72,-21.61,;18.71,-23.15,;17.38,-23.91,;17.37,-25.45,;14.71,-25.44,;16.04,-26.22,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568939 (CHEMBL4849134) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c3n2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62251 (MLS-0412140.0001 | cid_44182145 | cyclopropyl-[2-m...) Show SMILES CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H26N4O5S/c1-16-14-18-15-21(8-9-22(18)26(16)23(28)17-2-3-17)33(31,32)25-12-10-24(11-13-25)19-4-6-20(7-5-19)27(29)30/h4-9,15-17H,2-3,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay				J Med Chem 57: 6897-918 (2014) Article DOI: 10.1021/jm401841p BindingDB Entry DOI: 10.7270/Q2PV6N0K
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62251 (MLS-0412140.0001 | cid_44182145 | cyclopropyl-[2-m...) Show SMILES CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H26N4O5S/c1-16-14-18-15-21(8-9-22(18)26(16)23(28)17-2-3-17)33(31,32)25-12-10-24(11-13-25)19-4-6-20(7-5-19)27(29)30/h4-9,15-17H,2-3,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...				ACS Med Chem Lett 2: 780-785 (2011) Article DOI: 10.1021/ml200158b BindingDB Entry DOI: 10.7270/Q2H9966Z
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568947 (CHEMBL4867716) Show SMILES Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccc(F)cc2Cl)c1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM46401 (1-(2-nitrophenyl)-3-[[(E)-(6-oxidanylidene-4-propo...) Show SMILES CCCOc1cc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c(=O)c1 |w:9.9| Show InChI InChI=1S/C17H17N4O4S/c1-2-9-25-13-8-7-12(16(22)10-13)11-18-20-17(26)19-14-5-3-4-6-15(14)21(23)24/h3-8,10-11H,2,9H2,1H3,(H2,19,20,26)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564976 (CHEMBL4800115) Show SMILES CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	243	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62261 (4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-met...) Show SMILES CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C24H24N2OS/c1-28-23-12-10-22(11-13-23)25-24(27)20-8-6-18(7-9-20)16-26-15-14-19-4-2-3-5-21(19)17-26/h2-13H,14-17H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...				ACS Med Chem Lett 2: 780-785 (2011) Article DOI: 10.1021/ml200158b BindingDB Entry DOI: 10.7270/Q2H9966Z
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62261 (4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-met...) Show SMILES CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C24H24N2OS/c1-28-23-12-10-22(11-13-23)25-24(27)20-8-6-18(7-9-20)16-26-15-14-19-4-2-3-5-21(19)17-26/h2-13H,14-17H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay				J Med Chem 57: 6897-918 (2014) Article DOI: 10.1021/jm401841p BindingDB Entry DOI: 10.7270/Q2PV6N0K
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568930 (CHEMBL4871544) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CCO)c3n2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564980 (CHEMBL4792496) Show SMILES CC(C)Oc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564993 (CHEMBL4782505) Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	352	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62257 (MLS-0360553.0001 | cid_20901691 | cyclopropyl-[5-[...) Show SMILES COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(=O)C1CC1 Show InChI InChI=1S/C24H29N3O4S/c1-17-15-19-16-22(9-10-23(19)27(17)24(28)18-3-4-18)32(29,30)26-13-11-25(12-14-26)20-5-7-21(31-2)8-6-20/h5-10,16-18H,3-4,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...				ACS Med Chem Lett 2: 780-785 (2011) Article DOI: 10.1021/ml200158b BindingDB Entry DOI: 10.7270/Q2H9966Z
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62257 (MLS-0360553.0001 | cid_20901691 | cyclopropyl-[5-[...) Show SMILES COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(=O)C1CC1 Show InChI InChI=1S/C24H29N3O4S/c1-17-15-19-16-22(9-10-23(19)27(17)24(28)18-3-4-18)32(29,30)26-13-11-25(12-14-26)20-5-7-21(31-2)8-6-20/h5-10,16-18H,3-4,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay				J Med Chem 57: 6897-918 (2014) Article DOI: 10.1021/jm401841p BindingDB Entry DOI: 10.7270/Q2PV6N0K
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564975 (CHEMBL4784430) Show SMILES COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) Show SMILES CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C26H26N2O3/c1-2-31-26(30)22-11-13-24(14-12-22)27-25(29)21-9-7-19(8-10-21)17-28-16-15-20-5-3-4-6-23(20)18-28/h3-14H,2,15-18H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...				ACS Med Chem Lett 2: 780-785 (2011) Article DOI: 10.1021/ml200158b BindingDB Entry DOI: 10.7270/Q2H9966Z
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54409 (4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...) Show SMILES CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C26H26N2O3/c1-2-31-26(30)22-11-13-24(14-12-22)27-25(29)21-9-7-19(8-10-21)17-28-16-15-20-5-3-4-6-23(20)18-28/h3-14H,2,15-18H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay				J Med Chem 57: 6897-918 (2014) Article DOI: 10.1021/jm401841p BindingDB Entry DOI: 10.7270/Q2PV6N0K
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Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50239686 (CHEMBL4097753) Show SMILES CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)N4CCC(F)CC4)NC3=O)cc2NC(=O)COCc2ccc(cc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C35H37F4N5O6/c1-43(2)24-4-3-5-25(16-24)50-30-17-26-28(18-29(30)40-31(45)20-49-19-21-6-8-22(9-7-21)35(37,38)39)42-34(48)27(41-33(26)47)10-11-32(46)44-14-12-23(36)13-15-44/h3-9,16-18,23,27H,10-15,19-20H2,1-2H3,(H,40,45)(H,41,47)(H,42,48)/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/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
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Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564981 (CHEMBL4786742) Show SMILES CCCS(=O)(=O)Nc1cc(ccc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
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Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50565443 (CHEMBL4792557) Show SMILES CCCCOC(=O)CC1N(C(=O)c2ccccc2C(F)(F)F)S(=O)(=O)c2c1cccc2C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human NOD2 in HEK-Blue hNOD2 cells assessed as secreted alkaline phosphatase reporter activity preincubated for 3 hrs followed...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112575 BindingDB Entry DOI: 10.7270/Q23T9MZ7
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Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54195 (2-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]met...) Show SMILES Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C)cc1 Show InChI InChI=1S/C23H19N3OS/c1-14-8-10-18(11-9-14)25-15(2)12-17(16(25)3)13-21-22(27)26-20-7-5-4-6-19(20)24-23(26)28-21/h4-13H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
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Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568949 (CHEMBL4875011) Show SMILES Cc1ccc(c(Cl)c1)-c1cc2cnc(Nc3cccc(c3)S(C)(=O)=O)nc2n(C)c1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
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Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50556246 (CHEMBL4740438) Show SMILES FC(F)(F)c1ccc(COCC(=O)Nc2cc3ncn(CC(=O)N4CCCC(F)(F)C4)c(=O)c3cc2Oc2cccc(c2)N2CCOCC2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at NOD2 in HEK-Blue hNOD2 cells assessed as inhibition of MDP-induced NFkappaB activation-mediated SEAP release preincubated for ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112723 BindingDB Entry DOI: 10.7270/Q20C50F4
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50568941 (CHEMBL4852513) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(OC)cc4)c(=O)n(C)c3n2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activatio...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113252 BindingDB Entry DOI: 10.7270/Q21Z4863
					More data for this Ligand-Target Pair

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