Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50027250   

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
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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH2				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 1 (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 Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50275685 ((E)-6-(2,4-dimethoxy-5-(oxazol-5-yl)phenyl)-4-meth...) Show SMILES COc1cc(OC)c(cc1C\C=C(/C)CCC(O)=O)-c1cnco1 Show InChI InChI=1S/C18H21NO5/c1-12(5-7-18(20)21)4-6-13-8-14(17-10-19-11-24-17)16(23-3)9-15(13)22-2/h4,8-11H,5-7H2,1-3H3,(H,20,21)/b12-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH2				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50275685 ((E)-6-(2,4-dimethoxy-5-(oxazol-5-yl)phenyl)-4-meth...) Show SMILES COc1cc(OC)c(cc1C\C=C(/C)CCC(O)=O)-c1cnco1 Show InChI InChI=1S/C18H21NO5/c1-12(5-7-18(20)21)4-6-13-8-14(17-10-19-11-24-17)16(23-3)9-15(13)22-2/h4,8-11H,5-7H2,1-3H3,(H,20,21)/b12-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH2				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50275649 (6-(4-methoxy-3-(oxazol-5-yl)phenyl)-4-methylhex-4-...) Show SMILES COc1ccc(C\C=C(/C)CCC(O)=O)cc1-c1cnco1 Show InChI InChI=1S/C17H19NO4/c1-12(4-8-17(19)20)3-5-13-6-7-15(21-2)14(9-13)16-10-18-11-22-16/h3,6-7,9-11H,4-5,8H2,1-2H3,(H,19,20)/b12-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH2				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50275685 ((E)-6-(2,4-dimethoxy-5-(oxazol-5-yl)phenyl)-4-meth...) Show SMILES COc1cc(OC)c(cc1C\C=C(/C)CCC(O)=O)-c1cnco1 Show InChI InChI=1S/C18H21NO5/c1-12(5-7-18(20)21)4-6-13-8-14(17-10-19-11-24-17)16(23-3)9-15(13)22-2/h4,8-11H,5-7H2,1-3H3,(H,20,21)/b12-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50275685 ((E)-6-(2,4-dimethoxy-5-(oxazol-5-yl)phenyl)-4-meth...) Show SMILES COc1cc(OC)c(cc1C\C=C(/C)CCC(O)=O)-c1cnco1 Show InChI InChI=1S/C18H21NO5/c1-12(5-7-18(20)21)4-6-13-8-14(17-10-19-11-24-17)16(23-3)9-15(13)22-2/h4,8-11H,5-7H2,1-3H3,(H,20,21)/b12-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50275650 (6-(3-methoxy-4-(oxazol-5-yl)phenyl)-4-methylhex-4-...) Show SMILES COc1cc(C\C=C(/C)CCC(O)=O)ccc1-c1cnco1 Show InChI InChI=1S/C17H19NO4/c1-12(4-8-17(19)20)3-5-13-6-7-14(15(9-13)21-2)16-10-18-11-22-16/h3,6-7,9-11H,4-5,8H2,1-2H3,(H,19,20)/b12-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH2				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50275649 (6-(4-methoxy-3-(oxazol-5-yl)phenyl)-4-methylhex-4-...) Show SMILES COc1ccc(C\C=C(/C)CCC(O)=O)cc1-c1cnco1 Show InChI InChI=1S/C17H19NO4/c1-12(4-8-17(19)20)3-5-13-6-7-15(21-2)14(9-13)16-10-18-11-22-16/h3,6-7,9-11H,4-5,8H2,1-2H3,(H,19,20)/b12-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50275687 ((Z)-6-(2,4-dimethoxy-5-(oxazol-5-yl)phenyl)-4-meth...) Show SMILES COc1cc(OC)c(cc1C\C=C(\C)CCC(O)=O)-c1cnco1 Show InChI InChI=1S/C18H21NO5/c1-12(5-7-18(20)21)4-6-13-8-14(17-10-19-11-24-17)16(23-3)9-15(13)22-2/h4,8-11H,5-7H2,1-3H3,(H,20,21)/b12-4-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH2				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50275650 (6-(3-methoxy-4-(oxazol-5-yl)phenyl)-4-methylhex-4-...) Show SMILES COc1cc(C\C=C(/C)CCC(O)=O)ccc1-c1cnco1 Show InChI InChI=1S/C17H19NO4/c1-12(4-8-17(19)20)3-5-13-6-7-14(15(9-13)21-2)16-10-18-11-22-16/h3,6-7,9-11H,4-5,8H2,1-2H3,(H,19,20)/b12-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50275687 ((Z)-6-(2,4-dimethoxy-5-(oxazol-5-yl)phenyl)-4-meth...) Show SMILES COc1cc(OC)c(cc1C\C=C(\C)CCC(O)=O)-c1cnco1 Show InChI InChI=1S/C18H21NO5/c1-12(5-7-18(20)21)4-6-13-8-14(17-10-19-11-24-17)16(23-3)9-15(13)22-2/h4,8-11H,5-7H2,1-3H3,(H,20,21)/b12-4-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.73E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1 (Homo sapiens (Human))	BDBM50275686 (6-(2,4-dimethoxy-3-methyl-5-(oxazol-5-yl)phenyl)-4...) Show SMILES COc1c(C\C=C(/C)CCC(O)=O)cc(-c2cnco2)c(OC)c1C Show InChI InChI=1S/C19H23NO5/c1-12(6-8-17(21)22)5-7-14-9-15(16-10-20-11-25-16)19(24-4)13(2)18(14)23-3/h5,9-11H,6-8H2,1-4H3,(H,21,22)/b12-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50275686 (6-(2,4-dimethoxy-3-methyl-5-(oxazol-5-yl)phenyl)-4...) Show SMILES COc1c(C\C=C(/C)CCC(O)=O)cc(-c2cnco2)c(OC)c1C Show InChI InChI=1S/C19H23NO5/c1-12(6-8-17(21)22)5-7-14-9-15(16-10-20-11-25-16)19(24-4)13(2)18(14)23-3/h5,9-11H,6-8H2,1-4H3,(H,21,22)/b12-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human IMPDH2				Bioorg Med Chem 16: 9340-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.062 BindingDB Entry DOI: 10.7270/Q2K937BH
					More data for this Ligand-Target Pair