Found 53 hits for monomerid = 40523,59315,71804,50432787,50432790,50432792,50432793,50432794,50432795,50432796,50432797,50432798,50432799,50432800,50432801 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
GMP reductase 2
(Homo sapiens) | BDBM50432798
 (CHEMBL2348814)Show SMILES COc1ccc(OC(C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H19N3O4/c1-14(28-18-6-4-17(27-2)5-7-18)21(26)24-16-3-8-20-19(13-16)25-22(29-20)15-9-11-23-12-10-15/h3-14H,1-2H3,(H,24,26) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Allergy and Infectious Diseases
Curated by ChEMBL
| Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method |
J Med Chem 61: 4739-4756 (2018)
BindingDB Entry DOI: 10.7270/Q29889M0 |
More data for this Ligand-Target Pair | |
GMP reductase 2
(Homo sapiens) | BDBM50432790
 (CHEMBL2348796)Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Allergy and Infectious Diseases
Curated by ChEMBL
| Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method |
J Med Chem 61: 4739-4756 (2018)
BindingDB Entry DOI: 10.7270/Q29889M0 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase (IMPDH)
(Homo sapiens (Human)) | BDBM50432790
 (CHEMBL2348796)Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Allergy and Infectious Diseases
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method |
J Med Chem 61: 4739-4756 (2018)
BindingDB Entry DOI: 10.7270/Q29889M0 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase (IMPDH)
(Homo sapiens (Human)) | BDBM50432798
 (CHEMBL2348814)Show SMILES COc1ccc(OC(C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H19N3O4/c1-14(28-18-6-4-17(27-2)5-7-18)21(26)24-16-3-8-20-19(13-16)25-22(29-20)15-9-11-23-12-10-15/h3-14H,1-2H3,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Allergy and Infectious Diseases
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method |
J Med Chem 61: 4739-4756 (2018)
BindingDB Entry DOI: 10.7270/Q29889M0 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50432798
 (CHEMBL2348814)Show SMILES COc1ccc(OC(C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H19N3O4/c1-14(28-18-6-4-17(27-2)5-7-18)21(26)24-16-3-8-20-19(13-16)25-22(29-20)15-9-11-23-12-10-15/h3-14H,1-2H3,(H,24,26) | UniProtKB/SwissProt
GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Allergy and Infectious Diseases
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis IMPDH2 Y487C mutant using IMP as substrate by spectrophotometric method |
J Med Chem 61: 4739-4756 (2018)
BindingDB Entry DOI: 10.7270/Q29889M0 |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432787
 (CHEMBL2348799)Show SMILES COc1cccc(O[C@@H](C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c1OC Show InChI InChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432790
 (CHEMBL2348796)Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432792
 (CHEMBL2348822)Show SMILES C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432793
 (CHEMBL2348821)Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM71804
 (2-(4-chloranylphenoxy)-2-methyl-N-(2-pyridin-4-yl-...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C22H18ClN3O3/c1-22(2,29-17-6-3-15(23)4-7-17)21(27)25-16-5-8-19-18(13-16)26-20(28-19)14-9-11-24-12-10-14/h3-13H,1-2H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432794
 (CHEMBL2348820)Show SMILES Clc1ccc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c(Cl)c1 Show InChI InChI=1S/C20H13Cl2N3O3/c21-13-1-3-17(15(22)9-13)27-11-19(26)24-14-2-4-18-16(10-14)25-20(28-18)12-5-7-23-8-6-12/h1-10H,11H2,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432795
 (CHEMBL2348819)Show SMILES CC(Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C25H18ClN3O3/c1-15(31-22-9-7-20(26)18-4-2-3-5-19(18)22)24(30)28-17-6-8-23-21(14-17)29-25(32-23)16-10-12-27-13-11-16/h2-15H,1H3,(H,28,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432796
 (CHEMBL2348817)Show SMILES CC(Oc1c(Cl)cccc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-19-15(22)3-2-4-16(19)23)20(27)25-14-5-6-18-17(11-14)26-21(29-18)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432790
 (CHEMBL2348796)Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432797
 (CHEMBL2348815)Show SMILES CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-4-2-3-15(22)11-17)20(26)24-16-5-6-19-18(12-16)25-21(28-19)14-7-9-23-10-8-14/h2-13H,1H3,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432798
 (CHEMBL2348814)Show SMILES COc1ccc(OC(C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H19N3O4/c1-14(28-18-6-4-17(27-2)5-7-18)21(26)24-16-3-8-20-19(13-16)25-22(29-20)15-9-11-23-12-10-15/h3-14H,1-2H3,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432799
 (CHEMBL2348813)Show SMILES CC(Oc1ccccc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H17N3O3/c1-14(26-17-5-3-2-4-6-17)20(25)23-16-7-8-19-18(13-16)24-21(27-19)15-9-11-22-12-10-15/h2-14H,1H3,(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432800
 (CHEMBL2348812)Show SMILES CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-5-2-15(22)3-6-17)20(26)24-16-4-7-19-18(12-16)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM50432801
 (CHEMBL2348811)Show SMILES CC(Oc1ccccc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-18-5-3-2-4-16(18)22)20(26)24-15-6-7-19-17(12-15)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(Homo sapiens (Human)) | BDBM40523
 (2-(2,4-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benz...)Show SMILES CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-14(22)10-16(18)23)20(27)25-15-3-5-19-17(11-15)26-21(29-19)13-6-8-24-9-7-13/h2-12H,1H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of human IMPDH2 |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432787
 (CHEMBL2348799)Show SMILES COc1cccc(O[C@@H](C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c1OC Show InChI InChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432790
 (CHEMBL2348796)Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432792
 (CHEMBL2348822)Show SMILES C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432793
 (CHEMBL2348821)Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432795
 (CHEMBL2348819)Show SMILES CC(Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C25H18ClN3O3/c1-15(31-22-9-7-20(26)18-4-2-3-5-19(18)22)24(30)28-17-6-8-23-21(14-17)29-25(32-23)16-10-12-27-13-11-16/h2-15H,1H3,(H,28,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432790
 (CHEMBL2348796)Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432797
 (CHEMBL2348815)Show SMILES CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-4-2-3-15(22)11-17)20(26)24-16-5-6-19-18(12-16)25-21(28-19)14-7-9-23-10-8-14/h2-13H,1H3,(H,24,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432798
 (CHEMBL2348814)Show SMILES COc1ccc(OC(C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H19N3O4/c1-14(28-18-6-4-17(27-2)5-7-18)21(26)24-16-3-8-20-19(13-16)25-22(29-20)15-9-11-23-12-10-15/h3-14H,1-2H3,(H,24,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432799
 (CHEMBL2348813)Show SMILES CC(Oc1ccccc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H17N3O3/c1-14(26-17-5-3-2-4-6-17)20(25)23-16-7-8-19-18(13-16)24-21(27-19)15-9-11-22-12-10-15/h2-14H,1H3,(H,23,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432800
 (CHEMBL2348812)Show SMILES CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-5-2-15(22)3-6-17)20(26)24-16-4-7-19-18(12-16)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432801
 (CHEMBL2348811)Show SMILES CC(Oc1ccccc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-18-5-3-2-4-16(18)22)20(26)24-15-6-7-19-17(12-15)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM40523
 (2-(2,4-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benz...)Show SMILES CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-14(22)10-16(18)23)20(27)25-15-3-5-19-17(11-15)26-21(29-19)13-6-8-24-9-7-13/h2-12H,1H3,(H,25,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432787
 (CHEMBL2348799)Show SMILES COc1cccc(O[C@@H](C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c1OC Show InChI InChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432790
 (CHEMBL2348796)Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432792
 (CHEMBL2348822)Show SMILES C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| 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 |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432793
 (CHEMBL2348821)Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM71804
 (2-(4-chloranylphenoxy)-2-methyl-N-(2-pyridin-4-yl-...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C22H18ClN3O3/c1-22(2,29-17-6-3-15(23)4-7-17)21(27)25-16-5-8-19-18(13-16)26-20(28-19)14-9-11-24-12-10-14/h3-13H,1-2H3,(H,25,27) | PDB MMDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432794
 (CHEMBL2348820)Show SMILES Clc1ccc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c(Cl)c1 Show InChI InChI=1S/C20H13Cl2N3O3/c21-13-1-3-17(15(22)9-13)27-11-19(26)24-14-2-4-18-16(10-14)25-20(28-18)12-5-7-23-8-6-12/h1-10H,11H2,(H,24,26) | PDB MMDB
UniProtKB/SwissProt
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432795
 (CHEMBL2348819)Show SMILES CC(Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C25H18ClN3O3/c1-15(31-22-9-7-20(26)18-4-2-3-5-19(18)22)24(30)28-17-6-8-23-21(14-17)29-25(32-23)16-10-12-27-13-11-16/h2-15H,1H3,(H,28,30) | PDB MMDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432796
 (CHEMBL2348817)Show SMILES CC(Oc1c(Cl)cccc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-19-15(22)3-2-4-16(19)23)20(27)25-14-5-6-18-17(11-14)26-21(29-18)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432790
 (CHEMBL2348796)Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432797
 (CHEMBL2348815)Show SMILES CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-4-2-3-15(22)11-17)20(26)24-16-5-6-19-18(12-16)25-21(28-19)14-7-9-23-10-8-14/h2-13H,1H3,(H,24,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432798
 (CHEMBL2348814)Show SMILES COc1ccc(OC(C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H19N3O4/c1-14(28-18-6-4-17(27-2)5-7-18)21(26)24-16-3-8-20-19(13-16)25-22(29-20)15-9-11-23-12-10-15/h3-14H,1-2H3,(H,24,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432799
 (CHEMBL2348813)Show SMILES CC(Oc1ccccc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H17N3O3/c1-14(26-17-5-3-2-4-6-17)20(25)23-16-7-8-19-18(13-16)24-21(27-19)15-9-11-22-12-10-15/h2-14H,1H3,(H,23,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432800
 (CHEMBL2348812)Show SMILES CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-17-5-2-15(22)3-6-17)20(26)24-16-4-7-19-18(12-16)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM50432801
 (CHEMBL2348811)Show SMILES CC(Oc1ccccc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H16ClN3O3/c1-13(27-18-5-3-2-4-16(18)22)20(26)24-15-6-7-19-17(12-15)25-21(28-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5-monophosphate dehydrogenase (IMPDH)
(Cryptosporidium parvum) | BDBM40523
 (2-(2,4-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benz...)Show SMILES CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-14(22)10-16(18)23)20(27)25-15-3-5-19-17(11-15)26-21(29-19)13-6-8-24-9-7-13/h2-12H,1H3,(H,25,27) | PDB MMDB
UniProtKB/SwissProt
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PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5... |
J Med Chem 56: 4028-43 (2013)
Article DOI: 10.1021/jm400241j BindingDB Entry DOI: 10.7270/Q2GF0VWF |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase, probable
(Cryptosporidium parvum) | BDBM50432790
 (CHEMBL2348796)Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium IMPDH preincubated for 10 mins before substrate addition by spectrophotometry |
ACS Med Chem Lett 5: 846-50 (2014)
Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Bacillus anthracis) | BDBM50432790
 (CHEMBL2348796)Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Brandeis University
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry |
ACS Med Chem Lett 5: 846-50 (2014)
Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3 |
More data for this Ligand-Target Pair | |
Hsf1 protein
(Mus musculus) | BDBM71804
 (2-(4-chloranylphenoxy)-2-methyl-N-(2-pyridin-4-yl-...)Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 Show InChI InChI=1S/C22H18ClN3O3/c1-22(2,29-17-6-3-15(23)4-7-17)21(27)25-16-5-8-19-18(13-16)26-20(28-19)14-9-11-24-12-10-14/h3-13H,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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PC cid PC sid UniChem
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| PCBioAssay
| n/a | n/a | n/a | n/a | >2.60E+5 | n/a | n/a | n/a | n/a |
Broad Institute
Curated by PubChem BioAssay
| Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2P55KXK |
More data for this Ligand-Target Pair | |