Compile Data Set for Download or QSAR

Found 533 hits with Last Name = 'suyama' and Initial = 'e'   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to sigma-1 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to 5-HT3 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to PBR receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50440738 (CHEMBL2431105) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:47:37:46:41.44.42,43:38:46:41.44.42,43:42:46:39.38.37,THB:37:38:41:46.44.45,37:45:41:39.38.43,36:37:46:41.44.42,(15.65,-18.65,;16.42,-17.32,;15.65,-15.98,;14.12,-15.98,;13.35,-14.64,;14.12,-13.31,;15.66,-13.32,;16.45,-11.99,;15.69,-10.65,;16.42,-14.66,;17.96,-14.67,;18.44,-16.14,;19.98,-16.13,;20.44,-14.66,;19.21,-13.77,;19.2,-12.24,;17.87,-11.46,;17.87,-9.92,;19.2,-9.15,;20.53,-9.91,;20.53,-11.45,;21.87,-12.22,;23.2,-11.45,;21.87,-13.76,;19.19,-7.61,;17.86,-6.84,;20.52,-6.83,;20.52,-5.29,;21.86,-7.6,;23.19,-6.83,;24.53,-7.6,;25.86,-6.82,;27.2,-7.59,;25.86,-5.28,;20.89,-17.37,;20.27,-18.78,;22.42,-17.2,;23.33,-18.45,;24.37,-19.55,;23.6,-20.77,;22.31,-21.33,;22.32,-23.09,;23.12,-21.75,;24.52,-21.18,;22.02,-20.6,;21.92,-18.99,;21.27,-20.27,;24.86,-18.28,;25.77,-19.52,;25.48,-16.87,)| Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-neurotensin from NTR1 in HUVEC after 1 hr by gamma counting analysis				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					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
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50440738 (CHEMBL2431105) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:47:37:46:41.44.42,43:38:46:41.44.42,43:42:46:39.38.37,THB:37:38:41:46.44.45,37:45:41:39.38.43,36:37:46:41.44.42,(15.65,-18.65,;16.42,-17.32,;15.65,-15.98,;14.12,-15.98,;13.35,-14.64,;14.12,-13.31,;15.66,-13.32,;16.45,-11.99,;15.69,-10.65,;16.42,-14.66,;17.96,-14.67,;18.44,-16.14,;19.98,-16.13,;20.44,-14.66,;19.21,-13.77,;19.2,-12.24,;17.87,-11.46,;17.87,-9.92,;19.2,-9.15,;20.53,-9.91,;20.53,-11.45,;21.87,-12.22,;23.2,-11.45,;21.87,-13.76,;19.19,-7.61,;17.86,-6.84,;20.52,-6.83,;20.52,-5.29,;21.86,-7.6,;23.19,-6.83,;24.53,-7.6,;25.86,-6.82,;27.2,-7.59,;25.86,-5.28,;20.89,-17.37,;20.27,-18.78,;22.42,-17.2,;23.33,-18.45,;24.37,-19.55,;23.6,-20.77,;22.31,-21.33,;22.32,-23.09,;23.12,-21.75,;24.52,-21.18,;22.02,-20.6,;21.92,-18.99,;21.27,-20.27,;24.86,-18.28,;25.77,-19.52,;25.48,-16.87,)| Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at NTR1 (unknown origin) expressed in human U2OS cells coexpressing beta-arrestin assessed as inhibition of ML314-induced effect ...				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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 1 (Homo sapiens (Human))	BDBM62170 (1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...) Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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 1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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))	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 1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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 1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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
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
26S proteasome non-ATPase regulatory subunit 14 (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	7.5	30
California Institute of Technology					Assay Description Fluorescence polarization assays were performed in low-volume 384-well solid black plates (Molecular Devices) in quadruplicate. The assays were perfo...				Nat Chem Biol 13: 486-493 (2017) Article DOI: 10.1038/nchembio.2326 BindingDB Entry DOI: 10.7270/Q24J0D0B
					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))	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 1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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 1 (Homo sapiens (Human))	BDBM62295 (4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-met...) Show SMILES COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C24H24N2O2/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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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 1 (Homo sapiens (Human))	BDBM59542 ((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12 Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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))	BDBM59544 (4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...) Show SMILES CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C25H26N2O2/c1-2-29-24-13-11-23(12-14-24)26-25(28)21-9-7-19(8-10-21)17-27-16-15-20-5-3-4-6-22(20)18-27/h3-14H,2,15-18H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	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))	BDBM62249 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-...) Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClN3O3S/c1-3-22(27)26-16(2)14-17-15-20(8-9-21(17)26)30(28,29)25-12-10-24(11-13-25)19-6-4-18(23)5-7-19/h4-9,15-16H,3,10-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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
Apelin receptor (Homo sapiens (Human))	BDBM50393964 (CHEMBL2158347) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O Show InChI InChI=1S/C17H11N3O6S/c21-14-8-13(10-27-17-18-6-1-7-19-17)25-9-15(14)26-16(22)11-2-4-12(5-3-11)20(23)24/h1-9H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at APJ receptor assessed as inhibition of apelin13-induced cAMP accumulation				Bioorg Med Chem Lett 22: 6656-60 (2012) Article DOI: 10.1016/j.bmcl.2012.08.105 BindingDB Entry DOI: 10.7270/Q2H1333B
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62295 (4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-met...) Show SMILES COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C24H24N2O2/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	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	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 1 (Homo sapiens (Human))	BDBM54413 (CHEMBL1612423 | MLS001202690 | N-(4-Chloro-phenyl)...) Show SMILES Clc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C23H21ClN2O/c24-21-9-11-22(12-10-21)25-23(27)19-7-5-17(6-8-19)15-26-14-13-18-3-1-2-4-20(18)16-26/h1-12H,13-16H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396489 (CHEMBL2170943) Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM62249 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-...) Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClN3O3S/c1-3-22(27)26-16(2)14-17-15-20(8-9-21(17)26)30(28,29)25-12-10-24(11-13-25)19-6-4-18(23)5-7-19/h4-9,15-16H,3,10-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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 1 (Homo sapiens (Human))	BDBM62302 (MLS-0425608.0001 | N-(4-bromophenyl)-4-(3,4-dihydr...) Show SMILES Brc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C23H21BrN2O/c24-21-9-11-22(12-10-21)25-23(27)19-7-5-17(6-8-19)15-26-14-13-18-3-1-2-4-20(18)16-26/h1-12H,13-16H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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 1 (Homo sapiens (Human))	BDBM59544 (4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...) Show SMILES CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C25H26N2O2/c1-2-29-24-13-11-23(12-14-24)26-25(28)21-9-7-19(8-10-21)17-27-16-15-20-5-3-4-6-22(20)18-27/h3-14H,2,15-18H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396486 (CHEMBL2171113) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396521 (CHEMBL2170936) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc(F)cc3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-3-4-18(27)14-25-22(28)16-7-10-20-19(13-16)26-23(29)21(30-20)12-15-5-8-17(24)9-6-15/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62245 (1-[2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sul...) Show SMILES CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H24N4O5S/c1-15-13-17-14-20(7-8-21(17)24(15)16(2)26)31(29,30)23-11-9-22(10-12-23)18-3-5-19(6-4-18)25(27)28/h3-8,14-15H,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	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))	BDBM54470 (1-[2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sul...) Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H26N4O5S/c1-3-22(27)25-16(2)14-17-15-20(8-9-21(17)25)32(30,31)24-12-10-23(11-13-24)18-4-6-19(7-5-18)26(28)29/h4-9,15-16H,3,10-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	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))	BDBM62250 (1-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-...) Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C24H29N3O4S/c1-4-24(29)27-17(2)15-20-16-22(9-10-23(20)27)32(30,31)26-13-11-25(12-14-26)21-7-5-19(6-8-21)18(3)28/h5-10,16-17H,4,11-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	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 1 (Homo sapiens (Human))	BDBM62286 (4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(di...) Show SMILES CN(C)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C25H27N3O/c1-27(2)24-13-11-23(12-14-24)26-25(29)21-9-7-19(8-10-21)17-28-16-15-20-5-3-4-6-22(20)18-28/h3-14H,15-18H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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))	BDBM62302 (MLS-0425608.0001 | N-(4-bromophenyl)-4-(3,4-dihydr...) Show SMILES Brc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C23H21BrN2O/c24-21-9-11-22(12-10-21)25-23(27)19-7-5-17(6-8-19)15-26-14-13-18-3-1-2-4-20(18)16-26/h1-12H,13-16H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	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
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396519 (CHEMBL2170938) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3c(F)cccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-5-15(28)13-26-22(29)14-8-9-20-19(11-14)27-23(30)21(31-20)12-16-17(24)6-3-7-18(16)25/h3,6-9,11-12,15H,2,4-5,10,13H2,1H3,(H,26,29)(H,27,30)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM62245 (1-[2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sul...) Show SMILES CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H24N4O5S/c1-15-13-17-14-20(7-8-21(17)24(15)16(2)26)31(29,30)23-11-9-22(10-12-23)18-3-5-19(6-4-18)25(27)28/h3-8,14-15H,9-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396486 (CHEMBL2171113) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50393964 (CHEMBL2158347) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O Show InChI InChI=1S/C17H11N3O6S/c21-14-8-13(10-27-17-18-6-1-7-19-17)25-9-15(14)26-16(22)11-2-4-12(5-3-11)20(23)24/h1-9H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by lu...				Bioorg Med Chem Lett 22: 6656-60 (2012) Article DOI: 10.1016/j.bmcl.2012.08.105 BindingDB Entry DOI: 10.7270/Q2H1333B
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62246 (1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-...) Show SMILES CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O3S/c1-15-13-17-14-20(7-8-21(17)25(15)16(2)26)29(27,28)24-11-9-23(10-12-24)19-5-3-18(22)4-6-19/h3-8,14-15H,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	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
Apelin receptor (Homo sapiens (Human))	BDBM32307 (4-chloro-3-nitro-benzoic acid [4-keto-6-[[(4-methy...) Show SMILES Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1 Show InChI InChI=1S/C18H12ClN3O6S/c1-10-4-5-20-18(21-10)29-9-12-7-15(23)16(8-27-12)28-17(24)11-2-3-13(19)14(6-11)22(25)26/h2-8H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by lu...				Bioorg Med Chem Lett 22: 6656-60 (2012) Article DOI: 10.1016/j.bmcl.2012.08.105 BindingDB Entry DOI: 10.7270/Q2H1333B
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM62240 (4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-flu...) Show SMILES Fc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Show InChI InChI=1S/C23H21FN2O/c24-21-9-11-22(12-10-21)25-23(27)19-7-5-17(6-8-19)15-26-14-13-18-3-1-2-4-20(18)16-26/h1-12H,13-16H2,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+3	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 1 (Homo sapiens (Human))	BDBM54470 (1-[2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sul...) Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H26N4O5S/c1-3-22(27)25-16(2)14-17-15-20(8-9-21(17)25)32(30,31)24-12-10-23(11-13-24)18-4-6-19(7-5-18)26(28)29/h4-9,15-16H,3,10-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396489 (CHEMBL2170943) Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM62250 (1-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-...) Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C24H29N3O4S/c1-4-24(29)27-17(2)15-20-16-22(9-10-23(20)27)32(30,31)26-13-11-25(12-14-26)21-7-5-19(6-8-21)18(3)28/h5-10,16-17H,4,11-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396521 (CHEMBL2170936) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc(F)cc3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-3-4-18(27)14-25-22(28)16-7-10-20-19(13-16)26-23(29)21(30-20)12-15-5-8-17(24)9-6-15/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM62171 ((1-besylbenzimidazol-2-yl)amine | 1-(benzenesulfon...) Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C13H11N3O2S/c14-13-15-11-8-4-5-9-12(11)16(13)19(17,18)10-6-2-1-3-7-10/h1-9H,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...				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
BRISC and BRCA1-A complex member 1/BRISC and BRCA1-A complex member 2/BRISC complex subunit Abraxas 2/Lys-63-specific deubiquitinase BRCC36 (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
California Institute of Technology					Assay Description BRCC36 activity was measured using 1 nM purified BRISC complex and 80 nM di-ubiquitin substrate DiUbK63TAMRA (UF-310, Boston Biochem). TAMRA fluoresc...				Nat Chem Biol 13: 486-493 (2017) Article DOI: 10.1038/nchembio.2326 BindingDB Entry DOI: 10.7270/Q24J0D0B
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396522 (CHEMBL2170935) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-10-4-7-18(27)14-25-22(28)16-8-9-20-19(13-16)26-23(29)21(30-20)12-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-13,18H,2,4,7,10,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair

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