Compile Data Set for Download or QSAR

Found 544 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 4269   

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 1 (Homo sapiens (Human))	BDBM39763 (2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethyl...) Show SMILES COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccccc1O)=[N+]2C |c:24| Show InChI InChI=1S/C21H21NO3/c1-21(2)16-13-15(20(24)25-4)9-11-17(16)22(3)19(21)12-10-14-7-5-6-8-18(14)23/h5-13H,1-4H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.83E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM59517 ((5E)-1-(2-furanylmethyl)-5-[(E)-3-(2-furanyl)prop-...) Show SMILES CC(C)N1C(=O)N(Cc2ccco2)C(=O)\C(=C/C=C/c2ccco2)C1=O Show InChI InChI=1S/C19H18N2O5/c1-13(2)21-18(23)16(9-3-6-14-7-4-10-25-14)17(22)20(19(21)24)12-15-8-5-11-26-15/h3-11,13H,12H2,1-2H3/b6-3+,16-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.00E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM46386 (4-[(2-bromanylphenoxy)methyl]-N-[4-[(3,5-dimethylp...) Show SMILES Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Br)cc3)cc2)n1 Show InChI InChI=1S/C26H24BrN3O2/c1-18-15-19(2)30(29-18)16-20-9-13-23(14-10-20)28-26(31)22-11-7-21(8-12-22)17-32-25-6-4-3-5-24(25)27/h3-15H,16-17H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.42E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54209 (MLS000539756 | N-(3-imidazo[1,2-a]pyrimidin-2-ylph...) Show SMILES O=S(=O)(Nc1cccc(c1)-c1cn2cccnc2n1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H18N4O2S/c29-31(30,22-12-10-19(11-13-22)18-6-2-1-3-7-18)27-21-9-4-8-20(16-21)23-17-28-15-5-14-25-24(28)26-23/h1-17,27H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.60E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM52373 (3-Amino-8-methyl-thieno[2,3-b]quinoline-2-carboxyl...) Show SMILES Cc1cccc2cc3c(N)c(sc3nc12)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C23H22N4O2S/c1-14-3-2-4-15-13-18-19(24)21(30-23(18)26-20(14)15)22(28)25-16-5-7-17(8-6-16)27-9-11-29-12-10-27/h2-8,13H,9-12,24H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.87E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM33706 (1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...) Show SMILES Cc1sc2nc(C)nc(SCC(=O)N3CCc4ccccc4C3)c2c1C Show InChI InChI=1S/C20H21N3OS2/c1-12-13(2)26-20-18(12)19(21-14(3)22-20)25-11-17(24)23-9-8-15-6-4-5-7-16(15)10-23/h4-7H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.13E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM44553 (3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-5-(4-m...) Show SMILES COc1ccc(\C=C\c2cc(o[n+]2C)-c2ccc(C)cc2)cc1 Show InChI InChI=1S/C20H20NO2/c1-15-4-9-17(10-5-15)20-14-18(21(2)23-20)11-6-16-7-12-19(22-3)13-8-16/h4-14H,1-3H3/q+1/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.15E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM57360 ((6E)-4-chloranyl-2-nitro-6-[(2-pyridin-2-ylhydrazi...) Show SMILES [O-][N+](=O)c1cc(Cl)c[c-](C[NH+]=Nc2ccccn2)c1=O |w:10.9| Show InChI InChI=1S/C12H8ClN4O3/c13-9-5-8(12(18)10(6-9)17(19)20)7-15-16-11-3-1-2-4-14-11/h1-6H,7H2/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.12E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM53772 (2-[(2-{[(2-fluorophenyl)sulfonyl]amino}phenyl)sulf...) Show SMILES Fc1ccccc1S(=O)(=O)Nc1ccccc1SCC(=O)Nc1nnc(s1)C(F)(F)F Show InChI InChI=1S/C17H12F4N4O3S3/c18-10-5-1-4-8-13(10)31(27,28)25-11-6-2-3-7-12(11)29-9-14(26)22-16-24-23-15(30-16)17(19,20)21/h1-8,25H,9H2,(H,22,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.59E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM59518 (2,2-bis(chloranyl)-1-(3-phenyl-2,3-dihydro-1,4-ben...) Show SMILES ClC(Cl)C(=O)N1C(COc2ccccc12)c1ccccc1 Show InChI InChI=1S/C16H13Cl2NO2/c17-15(18)16(20)19-12-8-4-5-9-14(12)21-10-13(19)11-6-2-1-3-7-11/h1-9,13,15H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.38E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54210 (2-(3,5-Dimethyl-phenoxy)-N-(6-nitro-benzothiazol-2...) Show SMILES Cc1cc(C)cc(OCC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)c1 Show InChI InChI=1S/C17H15N3O4S/c1-10-5-11(2)7-13(6-10)24-9-16(21)19-17-18-14-4-3-12(20(22)23)8-15(14)25-17/h3-8H,9H2,1-2H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.56E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54211 (2-(4-chlorophenyl)sulfanyl-1-methyl-indole-3-carba...) Show SMILES Cn1c(Sc2ccc(Cl)cc2)c(C=O)c2ccccc12 Show InChI InChI=1S/C16H12ClNOS/c1-18-15-5-3-2-4-13(15)14(10-19)16(18)20-12-8-6-11(17)7-9-12/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.63E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54212 (MLS000326804 | N'-[(2,6-dichlorobenzyl)oxy]-N-...) Show SMILES Clc1cccc(Cl)c1CON=CNc1ncnc2sccc12 |w:10.10| Show InChI InChI=1S/C14H10Cl2N4OS/c15-11-2-1-3-12(16)10(11)6-21-20-8-18-13-9-4-5-22-14(9)19-7-17-13/h1-5,7-8H,6H2,(H,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.00E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54213 (3-[[2-[[2-[(2,5-dichlorophenyl)sulfonylamino]pheny...) Show SMILES COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C20H16Cl2N2O5S3/c1-29-20(26)19-15(8-9-30-19)23-18(25)11-31-16-5-3-2-4-14(16)24-32(27,28)17-10-12(21)6-7-13(17)22/h2-10,24H,11H2,1H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.42E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM59519 (3,4-bis(chloranyl)-N-[1-(5-nitro-1,2,3,4-tetrazol-...) Show SMILES C[C+](Cn1nnc(n1)[N+]([O-])=O)[N-]NC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H9Cl2N7O3/c1-6(5-19-17-11(16-18-19)20(22)23)14-15-10(21)7-2-3-8(12)9(13)4-7/h2-4H,5H2,1H3,(H-,14,15,16,17,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.00E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54214 (2-[3-ethoxy-4-(4-nitrobenzyl)oxy-benzylidene]malon...) Show SMILES [#6]-[#6]-[#8]-c1cc(\[#6]=[#6](\[#6](=O)-[#8]-[#6])-[#6](=O)-[#8]-[#6])ccc1-[#8]-[#6]-c1ccc(cc1)-[#7+](-[#8-])=O Show InChI InChI=1S/C21H21NO8/c1-4-29-19-12-15(11-17(20(23)27-2)21(24)28-3)7-10-18(19)30-13-14-5-8-16(9-6-14)22(25)26/h5-12H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.19E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54215 (2-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]malo...) Show SMILES [#6]-[#8]-[#6](=O)-[#6](=[#6]\c1ccc(-[#8]-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)c(-[#8]-[#6])c1)\[#6](=O)-[#8]-[#6] Show InChI InChI=1S/C20H19NO8/c1-26-18-11-14(10-16(19(22)27-2)20(23)28-3)6-9-17(18)29-12-13-4-7-15(8-5-13)21(24)25/h4-11H,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.00E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM53779 (2-[(5Z)-4-keto-5-(1-naphthylmethylene)-2-thioxo-th...) Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O Show InChI InChI=1S/C23H17NO3S2/c25-21-20(14-17-11-6-10-16-9-4-5-12-18(16)17)29-23(28)24(21)19(22(26)27)13-15-7-2-1-3-8-15/h1-12,14,19H,13H2,(H,26,27)/b20-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.65E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54216 (2-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]malo...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(-[#8]-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)c(-[#8]-[#6])c1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C22H23NO8/c1-4-29-21(24)18(22(25)30-5-2)12-16-8-11-19(20(13-16)28-3)31-14-15-6-9-17(10-7-15)23(26)27/h6-13H,4-5,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.06E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54217 (1-amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazo...) Show SMILES Cc1ccc(cc1)-c1c(C#N)c(N)n2c3ccccc3nc2c1C#N Show InChI InChI=1S/C20H13N5/c1-12-6-8-13(9-7-12)18-14(10-21)19(23)25-17-5-3-2-4-16(17)24-20(25)15(18)11-22/h2-9H,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.11E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54218 ((6-bromoquinazolin-4-yl)-(4-chlorophenyl)amine | 6...) Show SMILES Clc1ccc(Nc2ncnc3ccc(Br)cc23)cc1 Show InChI InChI=1S/C14H9BrClN3/c15-9-1-6-13-12(7-9)14(18-8-17-13)19-11-4-2-10(16)3-5-11/h1-8H,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.06E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54219 (4-methyl-N-[2-[2-(tosylamino)phenyl]phenyl]benzene...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C26H24N2O4S2/c1-19-11-15-21(16-12-19)33(29,30)27-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28-34(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.99E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM46765 (4-[[2-(benzenesulfonamido)benzoyl]amino]benzoic ac...) Show SMILES COC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H18N2O5S/c1-28-21(25)15-11-13-16(14-12-15)22-20(24)18-9-5-6-10-19(18)23-29(26,27)17-7-3-2-4-8-17/h2-14,23H,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.34E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54220 (2-[(benzoylamino)methyl]-4,6-dibromophenyl 2-nitro...) Show SMILES [O-][N+](=O)c1ccccc1C(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1 Show InChI InChI=1S/C21H14Br2N2O5/c22-15-10-14(12-24-20(26)13-6-2-1-3-7-13)19(17(23)11-15)30-21(27)16-8-4-5-9-18(16)25(28)29/h1-11H,12H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.43E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54221 (MLS000581648 | N-[4-(1,3-benzothiazol-2-yl)benzyl]...) Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C22H18N2O2S/c1-26-19-8-4-2-6-17(19)21(25)23-14-15-10-12-16(13-11-15)22-24-18-7-3-5-9-20(18)27-22/h2-13H,14H2,1H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.77E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54222 ((E)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-3...) Show SMILES Cc1nc2CCCCc2cc1C(=O)C=Cc1ccccc1 |w:13.14| Show InChI InChI=1S/C19H19NO/c1-14-17(13-16-9-5-6-10-18(16)20-14)19(21)12-11-15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.39E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54223 (3-[(4-methylphenyl)-oxomethoxy]-1-benzothiophene-2...) Show SMILES CCOC(=O)c1sc2ccccc2c1OC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C19H16O4S/c1-3-22-19(21)17-16(14-6-4-5-7-15(14)24-17)23-18(20)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.07E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54224 (MLS000585588 | N'-[(1E)-1-(5-bromothien-2-yl)e...) Show SMILES CC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(Br)s1 |w:2.2| Show InChI InChI=1S/C13H10BrClN2O2S/c1-7(11-4-5-12(14)20-11)16-17-13(19)9-6-8(15)2-3-10(9)18/h2-6,18H,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.93E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54225 (3-Chloro-N-{2,2,2-trichloro-1-[3-(2-chloro-phenyl)...) Show SMILES Clc1cccc(c1)C(=O)NC(NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl Show InChI InChI=1S/C16H12Cl5N3OS/c17-10-5-3-4-9(8-10)13(25)23-14(16(19,20)21)24-15(26)22-12-7-2-1-6-11(12)18/h1-8,14H,(H,23,25)(H2,22,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.00E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54226 ((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(4...) Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1 Show InChI InChI=1S/C18H12ClN5O4/c1-28-11-4-2-9-6-12-16(20)22-23(17(12)21-14(9)8-11)18(25)10-3-5-13(19)15(7-10)24(26)27/h2-8H,1H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.50E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54227 (3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)...) Show SMILES CCc1c(C)nc2ccc(Br)cc2c1SCCC#N Show InChI InChI=1S/C15H15BrN2S/c1-3-12-10(2)18-14-6-5-11(16)9-13(14)15(12)19-8-4-7-17/h5-6,9H,3-4,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.05E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54228 ((5E)-1-(2-methylphenyl)-5-[(2-phenyl-1H-indol-3-yl...) Show SMILES Cc1ccccc1N1C(=O)NC(=O)C(=Cc2c([nH]c3ccccc23)-c2ccccc2)C1=O |w:14.15| Show InChI InChI=1S/C26H19N3O3/c1-16-9-5-8-14-22(16)29-25(31)20(24(30)28-26(29)32)15-19-18-12-6-7-13-21(18)27-23(19)17-10-3-2-4-11-17/h2-15,27H,1H3,(H,28,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.37E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54229 (1-[3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylphenyl...) Show SMILES CC(=O)c1ccc(Sc2nnnn2-c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C15H11N5O3S/c1-10(21)11-7-8-14(13(9-11)20(22)23)24-15-16-17-18-19(15)12-5-3-2-4-6-12/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.43E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54231 (2-(2,4-Dinitro-phenylsulfanyl)-4,6-dimethyl-pyrimi...) Show SMILES Cc1cc(C)nc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)n1 Show InChI InChI=1S/C12H10N4O4S/c1-7-5-8(2)14-12(13-7)21-11-4-3-9(15(17)18)6-10(11)16(19)20/h3-6H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.00E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM55564 (2-(3-methylphenyl)-1H-naphtho[2,3-g]indazole-3,6,1...) Show SMILES Cc1cccc(c1)-n1[nH]c2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O Show InChI InChI=1S/C22H14N2O3/c1-12-5-4-6-13(11-12)24-22(27)17-10-9-16-18(19(17)23-24)21(26)15-8-3-2-7-14(15)20(16)25/h2-11,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.50E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54232 (2-(2,5-Dimethyl-phenyl)-1,2-dihydro-naphtho[2,3-g]...) Show SMILES Cc1ccc(C)c(c1)-n1[nH]c2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O Show InChI InChI=1S/C23H16N2O3/c1-12-7-8-13(2)18(11-12)25-23(28)17-10-9-16-19(20(17)24-25)22(27)15-6-4-3-5-14(15)21(16)26/h3-11,24H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.11E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54233 (MLS000560896 | N-(2,2-dichloro-1-tosyl-vinyl)-4-me...) Show SMILES [#6]-c1ccc(cc1)-[#6](=O)-[#7]\[#6](=[#6](/Cl)Cl)S(=O)(=O)c1ccc(-[#6])cc1 Show InChI InChI=1S/C17H15Cl2NO3S/c1-11-3-7-13(8-4-11)16(21)20-17(15(18)19)24(22,23)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.46E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54234 (4,6-Dimethyl-2-(5-phenyl-[1,3,4]oxadiazol-2-ylmeth...) Show SMILES Cc1cc(C)c(C#N)c(SCc2nnc(o2)-c2ccccc2)n1 Show InChI InChI=1S/C17H14N4OS/c1-11-8-12(2)19-17(14(11)9-18)23-10-15-20-21-16(22-15)13-6-4-3-5-7-13/h3-8H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.05E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54235 (2-[(2-chloro-1-oxoethyl)-(2-methoxyethyl)amino]-N-...) Show SMILES COCCN(C(C(=O)NC1CCCCC1)c1ccccc1C)C(=O)CCl Show InChI InChI=1S/C20H29ClN2O3/c1-15-8-6-7-11-17(15)19(23(12-13-26-2)18(24)14-21)20(25)22-16-9-4-3-5-10-16/h6-8,11,16,19H,3-5,9-10,12-14H2,1-2H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.73E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54236 ((4-benzylpiperazin-1-yl)-[4-(2-chlorophenyl)sulfon...) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H22ClN3O5S/c25-20-8-4-5-9-22(20)34(32,33)23-11-10-19(16-21(23)28(30)31)24(29)27-14-12-26(13-15-27)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.29E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54238 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-(2-p...) Show SMILES ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-20(27)26(18-10-8-17(24)9-11-18)21(19-7-4-14-29-19)22(28)25-13-12-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.30E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54239 ((5S,6R)-6-(5-nitro-1,2,3,4-tetrazol-2-yl)-3-phenyl...) Show SMILES [O-][N+](=O)c1nnn(n1)[C@@H]1[C@H](CC(=CC1=O)c1ccccc1)c1cccs1 |c:12| Show InChI InChI=1S/C17H13N5O3S/c23-14-10-12(11-5-2-1-3-6-11)9-13(15-7-4-8-26-15)16(14)21-19-17(18-20-21)22(24)25/h1-8,10,13,16H,9H2/t13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.57E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54240 (1-azepanyl-[4-(4-fluorophenyl)sulfonyl-3-nitrophen...) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCCCC1 Show InChI InChI=1S/C19H19FN2O5S/c20-15-6-8-16(9-7-15)28(26,27)18-10-5-14(13-17(18)22(24)25)19(23)21-11-3-1-2-4-12-21/h5-10,13H,1-4,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.38E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54241 (MLS000585864 | N-(2,4-dimethylphenyl)-9,10-bis(oxi...) Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c(C)c1 Show InChI InChI=1S/C22H17NO4S/c1-13-7-10-20(14(2)11-13)23-28(26,27)15-8-9-18-19(12-15)22(25)17-6-4-3-5-16(17)21(18)24/h3-12,23H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.34E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54242 (1-[5-(2-Ethylsulfanyl-ethyl)-[1,3,4]thiadiazol-2-y...) Show SMILES CCSCCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C14H15F3N4OS2/c1-2-23-7-6-11-20-21-13(24-11)19-12(22)18-10-5-3-4-9(8-10)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H2,18,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.16E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54243 (2-furancarboxylic acid [4-[[[1,3-dimethyl-2,6-diox...) Show SMILES COc1cc(CN=Nc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2)ccc1OC(=O)c1ccco1 |w:7.7| Show InChI InChI=1S/C27H24N6O6/c1-31-23-22(24(34)32(2)27(31)36)33(16-17-8-5-4-6-9-17)26(29-23)30-28-15-18-11-12-19(21(14-18)37-3)39-25(35)20-10-7-13-38-20/h4-14H,15-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.22E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54244 (Benzoic acid N'-(4-{5-[1-(2-chloro-phenyl)-met...) Show SMILES Clc1ccccc1\C=C1/SC(=S)N(CCCC(=O)NNC(=O)c2ccccc2)C1=O Show InChI InChI=1S/C21H18ClN3O3S2/c22-16-10-5-4-9-15(16)13-17-20(28)25(21(29)30-17)12-6-11-18(26)23-24-19(27)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,23,26)(H,24,27)/b17-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.00E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54245 (2-(4-Ethyl-phenoxy)-N-[3-methoxy-4-(2-oxo-2H-chrom...) Show SMILES CCc1ccc(OCC(=O)Nc2ccc(c(OC)c2)-c2cc3ccccc3oc2=O)cc1 Show InChI InChI=1S/C26H23NO5/c1-3-17-8-11-20(12-9-17)31-16-25(28)27-19-10-13-21(24(15-19)30-2)22-14-18-6-4-5-7-23(18)32-26(22)29/h4-15H,3,16H2,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.18E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54247 (2-Chloro-N-(3,4-dimethoxy-benzyl)-N-[3-(4-isopropo...) Show SMILES COc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1OC Show InChI InChI=1S/C29H34ClNO4/c1-21(2)35-25-13-11-24(12-14-25)26(23-8-6-5-7-9-23)16-17-31(29(32)19-30)20-22-10-15-27(33-3)28(18-22)34-4/h5-15,18,21,26H,16-17,19-20H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.79E+4	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/Q2CN72C0
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54248 ((4E)-5-methyl-4-[[(2-methyl-8-quinolinyl)amino]met...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccc(C)nc12 |w:14.16| Show InChI InChI=1S/C21H18N4O/c1-14-11-12-16-7-6-10-19(20(16)23-14)22-13-18-15(2)24-25(21(18)26)17-8-4-3-5-9-17/h3-13,24H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.72E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair

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