Found 31 hits with Last Name = 'frost' 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 |
Collagenase 3
(Homo sapiens (Human)) | BDBM50268316
(CHEMBL4080186)Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2scc(C3CCCCC3)c2c(=O)[nH]1 Show InChI InChI=1S/C22H22N4O4S/c27-17-10-30-16-7-6-12(8-15(16)24-17)9-23-21(29)19-25-20(28)18-14(11-31-22(18)26-19)13-4-2-1-3-5-13/h6-8,11,13H,1-5,9-10H2,(H,23,29)(H,24,27)(H,25,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as... |
ACS Med Chem Lett 8: 654-659 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50268309
(CHEMBL4088060)Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2sc3CCCCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C22H22N4O4S/c27-17-11-30-15-8-7-12(9-14(15)24-17)10-23-21(29)19-25-20(28)18-13-5-3-1-2-4-6-16(13)31-22(18)26-19/h7-9H,1-6,10-11H2,(H,23,29)(H,24,27)(H,25,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as... |
ACS Med Chem Lett 8: 654-659 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50268309
(CHEMBL4088060)Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2sc3CCCCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C22H22N4O4S/c27-17-11-30-15-8-7-12(9-14(15)24-17)10-23-21(29)19-25-20(28)18-13-5-3-1-2-4-6-16(13)31-22(18)26-19/h7-9H,1-6,10-11H2,(H,23,29)(H,24,27)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s... |
ACS Med Chem Lett 8: 654-659 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50268317
(CHEMBL4076356)Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2sc(cc2c(=O)[nH]1)C1CCCCC1 Show InChI InChI=1S/C22H22N4O4S/c27-18-11-30-16-7-6-12(8-15(16)24-18)10-23-21(29)19-25-20(28)14-9-17(31-22(14)26-19)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,23,29)(H,24,27)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s... |
ACS Med Chem Lett 8: 654-659 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50268316
(CHEMBL4080186)Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2scc(C3CCCCC3)c2c(=O)[nH]1 Show InChI InChI=1S/C22H22N4O4S/c27-17-10-30-16-7-6-12(8-15(16)24-17)9-23-21(29)19-25-20(28)18-14(11-31-22(18)26-19)13-4-2-1-3-5-13/h6-8,11,13H,1-5,9-10H2,(H,23,29)(H,24,27)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s... |
ACS Med Chem Lett 8: 654-659 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50268317
(CHEMBL4076356)Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2sc(cc2c(=O)[nH]1)C1CCCCC1 Show InChI InChI=1S/C22H22N4O4S/c27-18-11-30-16-7-6-12(8-15(16)24-18)10-23-21(29)19-25-20(28)14-9-17(31-22(14)26-19)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,23,29)(H,24,27)(H,25,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as... |
ACS Med Chem Lett 8: 654-659 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50268310
(CHEMBL4069479)Show SMILES FC(F)(F)c1ccc(cc1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C23H15F3N4O4S/c24-23(25,26)13-4-2-12(3-5-13)14-10-35-22-18(14)20(32)29-19(30-22)21(33)27-8-11-1-6-16-15(7-11)28-17(31)9-34-16/h1-7,10H,8-9H2,(H,27,33)(H,28,31)(H,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as... |
ACS Med Chem Lett 8: 654-659 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50268311
(CHEMBL4104422)Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2scc(CCc3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C24H20N4O4S/c29-19-12-32-18-9-7-15(10-17(18)26-19)11-25-23(31)21-27-22(30)20-16(13-33-24(20)28-21)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,13H,6,8,11-12H2,(H,25,31)(H,26,29)(H,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as... |
ACS Med Chem Lett 8: 654-659 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50268311
(CHEMBL4104422)Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2scc(CCc3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C24H20N4O4S/c29-19-12-32-18-9-7-15(10-17(18)26-19)11-25-23(31)21-27-22(30)20-16(13-33-24(20)28-21)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,13H,6,8,11-12H2,(H,25,31)(H,26,29)(H,27,28,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s... |
ACS Med Chem Lett 8: 654-659 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50268310
(CHEMBL4069479)Show SMILES FC(F)(F)c1ccc(cc1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C23H15F3N4O4S/c24-23(25,26)13-4-2-12(3-5-13)14-10-35-22-18(14)20(32)29-19(30-22)21(33)27-8-11-1-6-16-15(7-11)28-17(31)9-34-16/h1-7,10H,8-9H2,(H,27,33)(H,28,31)(H,29,30,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s... |
ACS Med Chem Lett 8: 654-659 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174783
(1-tert-butyl 5-methyl (3S,5R)-7'-methoxy-3'-methyl...)Show SMILES COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1 Show InChI InChI=1S/C23H28N4O7/c1-22(2,3)34-21(30)27-11-23(9-16(27)20(29)32-6)25-15-8-17(31-5)14(18-10-24-12-33-18)7-13(15)19(28)26(23)4/h7-8,10,12,16,25H,9,11H2,1-6H3/t16-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174782
(CHEMBL198729 | N,N-diethyl-7'-methoxy-3'-methyl-6'...)Show SMILES CCN(CC)C(=O)N1CCC2(C1)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1 Show InChI InChI=1S/C21H27N5O4/c1-5-25(6-2)20(28)26-8-7-21(12-26)23-16-10-17(29-4)15(18-11-22-13-30-18)9-14(16)19(27)24(21)3/h9-11,13,23H,5-8,12H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174790
(7-methoxy-2,3-dimethyl-6-(oxazol-5-yl)-2-styryl-2,...)Show SMILES COc1cc2NC(C)(\C=C\c3ccccc3)N(C)C(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C22H21N3O3/c1-22(10-9-15-7-5-4-6-8-15)24-18-12-19(27-3)17(20-13-23-14-28-20)11-16(18)21(26)25(22)2/h4-14,24H,1-3H3/b10-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174792
(CHEMBL199075 | N-(2,4-difluorophenyl)-7'-methoxy-N...)Show SMILES COc1cc2NC3(CCN(C3)C(=O)N(C)c3ccc(F)cc3F)N(C)C(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C24H23F2N5O4/c1-29(19-5-4-14(25)8-17(19)26)23(33)31-7-6-24(12-31)28-18-10-20(34-3)16(21-11-27-13-35-21)9-15(18)22(32)30(24)2/h4-5,8-11,13,28H,6-7,12H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174796
(7'-methoxy-N,3'-dimethyl-6'-(1,3-oxazol-5-yl)-4'-o...)Show SMILES COc1cc2NC3(CCN(C3)C(=O)N(C)c3ccccc3)N(C)C(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C24H25N5O4/c1-27(16-7-5-4-6-8-16)23(31)29-10-9-24(14-29)26-19-12-20(32-3)18(21-13-25-15-33-21)11-17(19)22(30)28(24)2/h4-8,11-13,15,26H,9-10,14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174795
(7'-methoxy-3'-methyl-6'-(1,3-oxazol-5-yl)-1-[(pipe...)Show SMILES COc1cc2NC3(CCN(C3)C(=O)N3CCCCC3)N(C)C(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C22H27N5O4/c1-25-20(28)15-10-16(19-12-23-14-31-19)18(30-2)11-17(15)24-22(25)6-9-27(13-22)21(29)26-7-4-3-5-8-26/h10-12,14,24H,3-9,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174789
(7'-methoxy-3'-methyl-6'-(1,3-oxazol-5-yl)-4'-oxo-N...)Show SMILES COc1cc2NC3(CCN(C3)C(=O)N(C(C)C)C(C)C)N(C)C(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C23H31N5O4/c1-14(2)28(15(3)4)22(30)27-8-7-23(12-27)25-18-10-19(31-6)17(20-11-24-13-32-20)9-16(18)21(29)26(23)5/h9-11,13-15,25H,7-8,12H2,1-6H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174785
(CHEMBL372753 | N,7'-dimethoxy-N,3'-dimethyl-6'-(1,...)Show SMILES CON(C)C(=O)N1CCC2(C1)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1 Show InChI InChI=1S/C19H23N5O5/c1-22-17(25)12-7-13(16-9-20-11-29-16)15(27-3)8-14(12)21-19(22)5-6-24(10-19)18(26)23(2)28-4/h7-9,11,21H,5-6,10H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174791
(CHEMBL197163 | ethyl 7'-methoxy-3'-methyl-6'-(1,3-...)Show SMILES CCOC(=O)N1CCC2(C1)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1 Show InChI InChI=1S/C19H22N4O5/c1-4-27-18(25)23-6-5-19(10-23)21-14-8-15(26-3)13(16-9-20-11-28-16)7-12(14)17(24)22(19)2/h7-9,11,21H,4-6,10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174788
(1-(2,2-dimethylpropanoyl)-7'-methoxy-3'-methyl-6'-...)Show SMILES COc1cc2NC3(CCN(C3)C(=O)C(C)(C)C)N(C)C(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C21H26N4O4/c1-20(2,3)19(27)25-7-6-21(11-25)23-15-9-16(28-5)14(17-10-22-12-29-17)8-13(15)18(26)24(21)4/h8-10,12,23H,6-7,11H2,1-5H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174781
(7'-methoxy-3'-methyl-6'-(1,3-oxazol-5-yl)-3',4',1,...)Show SMILES COc1cc2NC3(Cc4ccsc4C3)N(C)C(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C19H17N3O3S/c1-22-18(23)12-5-13(16-9-20-10-25-16)15(24-2)6-14(12)21-19(22)7-11-3-4-26-17(11)8-19/h3-6,9-10,21H,7-8H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174793
(CHEMBL371533 | tert-butyl 7'-methoxy-6'-(1,3-oxazo...)Show SMILES COc1cc2NC3(CCN(C3)C(=O)OC(C)(C)C)N(C)C(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C21H26N4O5/c1-20(2,3)30-19(27)25-7-6-21(11-25)23-15-9-16(28-5)14(17-10-22-12-29-17)8-13(15)18(26)24(21)4/h8-10,12,23H,6-7,11H2,1-5H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50160367
(7-Methoxy-3-methyl-6-oxazol-5-yl-1H-quinazoline-2,...)Show InChI InChI=1S/C13H11N3O4/c1-16-12(17)7-3-8(11-5-14-6-20-11)10(19-2)4-9(7)15-13(16)18/h3-6H,1-2H3,(H,15,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174798
(CHEMBL373029 | N-ethyl-7'-methoxy-3'-methyl-6'-(1,...)Show SMILES CCNC(=O)N1CCC2(C1)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1 Show InChI InChI=1S/C19H23N5O4/c1-4-21-18(26)24-6-5-19(10-24)22-14-8-15(27-3)13(16-9-20-11-28-16)7-12(14)17(25)23(19)2/h7-9,11,22H,4-6,10H2,1-3H3,(H,21,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174786
(7-methoxy-2,2,3-trimethyl-6-(oxazol-5-yl)-2,3-dihy...)Show InChI InChI=1S/C15H17N3O3/c1-15(2)17-11-6-12(20-4)10(13-7-16-8-21-13)5-9(11)14(19)18(15)3/h5-8,17H,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 192 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174780
(7-methoxy-2,2-dimethyl-6-(oxazol-5-yl)-3-(2-(pyrid...)Show SMILES COc1cc2NC(C)(C)N(CCc3ccncc3)C(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C21H22N4O3/c1-21(2)24-17-11-18(27-3)16(19-12-23-13-28-19)10-15(17)20(26)25(21)9-6-14-4-7-22-8-5-14/h4-5,7-8,10-13,24H,6,9H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174784
(7'-methoxy-3'-methyl-6'-(1,3-oxazol-5-yl)-1'H-spir...)Show InChI InChI=1S/C17H19N3O3/c1-20-16(21)11-7-12(15-9-18-10-23-15)14(22-2)8-13(11)19-17(20)5-3-4-6-17/h7-10,19H,3-6H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 328 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174799
(1-tert-butyl 5-methyl (3S,5S)-7'-methoxy-3'-methyl...)Show SMILES COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1 Show InChI InChI=1S/C23H28N4O7/c1-22(2,3)34-21(30)27-11-23(9-16(27)20(29)32-6)25-15-8-17(31-5)14(18-10-24-12-33-18)7-13(15)19(28)26(23)4/h7-8,10,12,16,25H,9,11H2,1-6H3/t16-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 369 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174797
(7'-methoxy-3'-methyl-6'-(1,3-oxazol-5-yl)-4'-oxo-N...)Show SMILES COc1cc2NC3(CCN(C3)C(=O)Nc3ccccc3)N(C)C(=O)c2cc1-c1cnco1 Show InChI InChI=1S/C23H23N5O4/c1-27-21(29)16-10-17(20-12-24-14-32-20)19(31-2)11-18(16)26-23(27)8-9-28(13-23)22(30)25-15-6-4-3-5-7-15/h3-7,10-12,14,26H,8-9,13H2,1-2H3,(H,25,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 393 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174787
(7'-methoxy-3'-methyl-6'-(1,3-oxazol-5-yl)-2,3,5,6-...)Show InChI InChI=1S/C17H19N3O4/c1-20-16(21)11-7-12(15-9-18-10-24-15)14(22-2)8-13(11)19-17(20)3-5-23-6-4-17/h7-10,19H,3-6H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 526 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50174794
(1-tert-butyl 5-methyl (3R,5S)-7'-methoxy-3'-methyl...)Show SMILES COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1 Show InChI InChI=1S/C23H28N4O7/c1-22(2,3)34-21(30)27-11-23(9-16(27)20(29)32-6)25-15-8-17(31-5)14(18-10-24-12-33-18)7-13(15)19(28)26(23)4/h7-8,10,12,16,25H,9,11H2,1-6H3/t16-,23+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 948 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Celltech
Curated by ChEMBL
| Assay Description Inhibitory activity against IMPDH II |
Bioorg Med Chem Lett 15: 5335-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.108 BindingDB Entry DOI: 10.7270/Q2CZ36P8 |
More data for this Ligand-Target Pair | |