Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'robertson' and Initial = 'aa'   

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
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50155926 (CHEMBL3183703) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ...				Bioorg Med Chem Lett 28: 793-795 (2018) Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50155926 (CHEMBL3183703) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ...				Bioorg Med Chem Lett 28: 793-795 (2018) Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50155926 (CHEMBL3183703) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ...				Bioorg Med Chem Lett 28: 793-795 (2018) Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50155926 (CHEMBL3183703) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ...				Bioorg Med Chem Lett 28: 793-795 (2018) Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50155926 (CHEMBL3183703) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by ...				Bioorg Med Chem Lett 28: 793-795 (2018) Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50155926 (CHEMBL3183703) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse BMDM assessed as reduction in NLRP3 inflammasome-induced IL-1beta production prei...				ACS Med Chem Lett 7: 1034-1038 (2016) Article DOI: 10.1021/acsmedchemlett.6b00198 BindingDB Entry DOI: 10.7270/Q2HD7XKV
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50155926 (CHEMBL3183703) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production by ELISA				Bioorg Med Chem Lett 28: 793-795 (2018) Article DOI: 10.1016/j.bmcl.2017.12.054 BindingDB Entry DOI: 10.7270/Q26T0Q81
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467860 (CHEMBL4277486) Show SMILES COc1cccc(c1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:14| Show InChI InChI=1S/C17H12N2O4S2/c1-22-12-6-4-5-11(9-12)16-18-19-17(23-16)24-14-10-25(20,21)15-8-3-2-7-13(14)15/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467866 (CHEMBL4289187) Show SMILES CC(=O)Nc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:16| Show InChI InChI=1S/C18H13N3O4S2/c1-11(22)19-13-8-6-12(7-9-13)17-20-21-18(25-17)26-15-10-27(23,24)16-5-3-2-4-14(15)16/h2-10H,1H3,(H,19,22)	PDB UniProtKB/SwissProt 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
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467871 (CHEMBL4288538) Show SMILES Clc1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H9ClN2O3S2/c17-12-7-3-1-5-10(12)15-18-19-16(22-15)23-13-9-24(20,21)14-8-4-2-6-11(13)14/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50199870 (CHEMBL3904593) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCC(O)c12 Show InChI InChI=1S/C20H24N2O6S/c1-20(2,25)13-9-16(28-10-13)29(26,27)22-19(24)21-18-14-5-3-4-11(14)8-12-6-7-15(23)17(12)18/h8-10,15,23,25H,3-7H2,1-2H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	232	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 inflammasome in LPS-stimulated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome-induced IL-1beta pr...				ACS Med Chem Lett 7: 1034-1038 (2016) Article DOI: 10.1021/acsmedchemlett.6b00198 BindingDB Entry DOI: 10.7270/Q2HD7XKV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467864 (CHEMBL4277233) Show SMILES COC(=O)c1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:16| Show InChI InChI=1S/C18H12N2O5S2/c1-24-17(21)12-8-6-11(7-9-12)16-19-20-18(25-16)26-14-10-27(22,23)15-5-3-2-4-13(14)15/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM31072 (2-[(1,1-dioxido-1-benzothien-3-yl)thio]-5-phenyl-1...) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3| Show InChI InChI=1S/C16H10N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h1-10H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467859 (CHEMBL4280641) Show SMILES Clc1cccc(c1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H9ClN2O3S2/c17-11-5-3-4-10(8-11)15-18-19-16(22-15)23-13-9-24(20,21)14-7-2-1-6-12(13)14/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467870 (CHEMBL4176498) Show SMILES Cc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C17H12N2O3S2/c1-11-6-8-12(9-7-11)16-18-19-17(22-16)23-14-10-24(20,21)15-5-3-2-4-13(14)15/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467868 (CHEMBL4284098) Show SMILES COc1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:14| Show InChI InChI=1S/C17H12N2O4S2/c1-22-13-8-4-2-6-11(13)16-18-19-17(23-16)24-14-10-25(20,21)15-9-5-3-7-12(14)15/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467865 (CHEMBL4166303) Show SMILES Clc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H9ClN2O3S2/c17-11-7-5-10(6-8-11)15-18-19-16(22-15)23-13-9-24(20,21)14-4-2-1-3-12(13)14/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467867 (CHEMBL4288980) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2cccnc2)c2ccccc12 |t:3| Show InChI InChI=1S/C15H9N3O3S2/c19-23(20)9-12(11-5-1-2-6-13(11)23)22-15-18-17-14(21-15)10-4-3-7-16-8-10/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467861 (CHEMBL4285191) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)C2CCCCC2)c2ccccc12 |t:3| Show InChI InChI=1S/C16H16N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50076255 (CHEMBL3416316) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2ccncc2)c2ccccc12 |t:3| Show InChI InChI=1S/C15H9N3O3S2/c19-23(20)9-12(11-3-1-2-4-13(11)23)22-15-18-17-14(21-15)10-5-7-16-8-6-10/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467869 (CHEMBL4288794) Show SMILES Nc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H11N3O3S2/c17-11-7-5-10(6-8-11)15-18-19-16(22-15)23-13-9-24(20,21)14-4-2-1-3-12(13)14/h1-9H,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467862 (CHEMBL4278303) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2ccccn2)c2ccccc12 |t:3| Show InChI InChI=1S/C15H9N3O3S2/c19-23(20)9-12(10-5-1-2-7-13(10)23)22-15-18-17-14(21-15)11-6-3-4-8-16-11/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467860 (CHEMBL4277486) Show SMILES COc1cccc(c1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:14| Show InChI InChI=1S/C17H12N2O4S2/c1-22-12-6-4-5-11(9-12)16-18-19-17(23-16)24-14-10-25(20,21)15-8-3-2-7-13(14)15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467871 (CHEMBL4288538) Show SMILES Clc1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H9ClN2O3S2/c17-12-7-3-1-5-10(12)15-18-19-16(22-15)23-13-9-24(20,21)14-8-4-2-6-11(13)14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50199858 (CHEMBL3956814) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2[C@H](O)CCc12 |r| Show InChI InChI=1S/C20H24N2O6S/c1-20(2,25)12-9-17(28-10-12)29(26,27)22-19(24)21-18-13-5-3-4-11(13)8-15-14(18)6-7-16(15)23/h8-10,16,23,25H,3-7H2,1-2H3,(H2,21,22,24)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 inflammasome in LPS-stimulated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome-induced IL-1beta pr...				ACS Med Chem Lett 7: 1034-1038 (2016) Article DOI: 10.1021/acsmedchemlett.6b00198 BindingDB Entry DOI: 10.7270/Q2HD7XKV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467865 (CHEMBL4166303) Show SMILES Clc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H9ClN2O3S2/c17-11-7-5-10(6-8-11)15-18-19-16(22-15)23-13-9-24(20,21)14-4-2-1-3-12(13)14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467859 (CHEMBL4280641) Show SMILES Clc1cccc(c1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H9ClN2O3S2/c17-11-5-3-4-10(8-11)15-18-19-16(22-15)23-13-9-24(20,21)14-7-2-1-6-12(13)14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50467863 (CHEMBL4168641) Show SMILES COc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:14| Show InChI InChI=1S/C17H12N2O4S2/c1-22-12-8-6-11(7-9-12)16-18-19-17(23-16)24-14-10-25(20,21)15-5-3-2-4-13(14)15/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50199871 (CHEMBL3920126) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CC(O)Cc12 Show InChI InChI=1S/C20H24N2O6S/c1-20(2,25)13-8-17(28-10-13)29(26,27)22-19(24)21-18-15-5-3-4-11(15)6-12-7-14(23)9-16(12)18/h6,8,10,14,23,25H,3-5,7,9H2,1-2H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 inflammasome in LPS-stimulated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome-induced IL-1beta pr...				ACS Med Chem Lett 7: 1034-1038 (2016) Article DOI: 10.1021/acsmedchemlett.6b00198 BindingDB Entry DOI: 10.7270/Q2HD7XKV
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50199869 (CHEMBL3929254) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2C(O)CCc12 Show InChI InChI=1S/C20H24N2O6S/c1-20(2,25)12-9-17(28-10-12)29(26,27)22-19(24)21-18-13-5-3-4-11(13)8-15-14(18)6-7-16(15)23/h8-10,16,23,25H,3-7H2,1-2H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 inflammasome in LPS-stimulated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome-induced IL-1beta pr...				ACS Med Chem Lett 7: 1034-1038 (2016) Article DOI: 10.1021/acsmedchemlett.6b00198 BindingDB Entry DOI: 10.7270/Q2HD7XKV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM31072 (2-[(1,1-dioxido-1-benzothien-3-yl)thio]-5-phenyl-1...) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3| Show InChI InChI=1S/C16H10N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50076255 (CHEMBL3416316) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2ccncc2)c2ccccc12 |t:3| Show InChI InChI=1S/C15H9N3O3S2/c19-23(20)9-12(11-3-1-2-4-13(11)23)22-15-18-17-14(21-15)10-5-7-16-8-6-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467861 (CHEMBL4285191) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)C2CCCCC2)c2ccccc12 |t:3| Show InChI InChI=1S/C16H16N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467867 (CHEMBL4288980) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2cccnc2)c2ccccc12 |t:3| Show InChI InChI=1S/C15H9N3O3S2/c19-23(20)9-12(11-5-1-2-6-13(11)23)22-15-18-17-14(21-15)10-4-3-7-16-8-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467868 (CHEMBL4284098) Show SMILES COc1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:14| Show InChI InChI=1S/C17H12N2O4S2/c1-22-13-8-4-2-6-11(13)16-18-19-17(23-16)24-14-10-25(20,21)15-9-5-3-7-12(14)15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467862 (CHEMBL4278303) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2ccccn2)c2ccccc12 |t:3| Show InChI InChI=1S/C15H9N3O3S2/c19-23(20)9-12(10-5-1-2-7-13(10)23)22-15-18-17-14(21-15)11-6-3-4-8-16-11/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50467860 (CHEMBL4277486) Show SMILES COc1cccc(c1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:14| Show InChI InChI=1S/C17H12N2O4S2/c1-22-12-6-4-5-11(9-12)16-18-19-17(23-16)24-14-10-25(20,21)15-8-3-2-7-13(14)15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467866 (CHEMBL4289187) Show SMILES CC(=O)Nc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:16| Show InChI InChI=1S/C18H13N3O4S2/c1-11(22)19-13-8-6-12(7-9-13)17-20-21-18(25-17)26-15-10-27(23,24)16-5-3-2-4-14(15)16/h2-10H,1H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467869 (CHEMBL4288794) Show SMILES Nc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H11N3O3S2/c17-11-7-5-10(6-8-11)15-18-19-16(22-15)23-13-9-24(20,21)14-4-2-1-3-12(13)14/h1-9H,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM31072 (2-[(1,1-dioxido-1-benzothien-3-yl)thio]-5-phenyl-1...) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3| Show InChI InChI=1S/C16H10N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50467870 (CHEMBL4176498) Show SMILES Cc1ccc(cc1)-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C17H12N2O3S2/c1-11-6-8-12(9-7-11)16-18-19-17(22-16)23-14-10-24(20,21)15-5-3-2-4-13(14)15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50467867 (CHEMBL4288980) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2cccnc2)c2ccccc12 |t:3| Show InChI InChI=1S/C15H9N3O3S2/c19-23(20)9-12(11-5-1-2-6-13(11)23)22-15-18-17-14(21-15)10-4-3-7-16-8-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50199868 (CHEMBL3906283) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2[C@@H](O)CCc12 |r| Show InChI InChI=1S/C20H24N2O6S/c1-20(2,25)12-9-17(28-10-12)29(26,27)22-19(24)21-18-13-5-3-4-11(13)8-15-14(18)6-7-16(15)23/h8-10,16,23,25H,3-7H2,1-2H3,(H2,21,22,24)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of NLRP3 inflammasome in LPS-stimulated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome-induced IL-1beta pr...				ACS Med Chem Lett 7: 1034-1038 (2016) Article DOI: 10.1021/acsmedchemlett.6b00198 BindingDB Entry DOI: 10.7270/Q2HD7XKV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50467871 (CHEMBL4288538) Show SMILES Clc1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:13| Show InChI InChI=1S/C16H9ClN2O3S2/c17-12-7-3-1-5-10(12)15-18-19-16(22-15)23-13-9-24(20,21)14-8-4-2-6-11(13)14/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50467861 (CHEMBL4285191) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)C2CCCCC2)c2ccccc12 |t:3| Show InChI InChI=1S/C16H16N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50076255 (CHEMBL3416316) Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2ccncc2)c2ccccc12 |t:3| Show InChI InChI=1S/C15H9N3O3S2/c19-23(20)9-12(11-3-1-2-4-13(11)23)22-15-18-17-14(21-15)10-5-7-16-8-6-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50467868 (CHEMBL4284098) Show SMILES COc1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc23)o1 |t:14| Show InChI InChI=1S/C17H12N2O4S2/c1-22-13-8-4-2-6-11(13)16-18-19-17(23-16)24-14-10-25(20,21)15-9-5-3-7-12(14)15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
					More data for this Ligand-Target Pair

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