Found 24 hits with Last Name = 'chaurasia' and Initial = 's' 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 |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM14712
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Torino
Curated by ChEMBL
| Assay Description Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay |
Eur J Med Chem 46: 383-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.029 BindingDB Entry DOI: 10.7270/Q2SQ90NX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50440473
(CHEMBL2425904)Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia 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 |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of CDK1/Cyclin B (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031 BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50440474
(CHEMBL2425903)Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1 Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of CDK1/Cyclin B (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031 BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50440473
(CHEMBL2425904)Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031 BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM12577
(Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...)Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati... |
Bioorg Med Chem 18: 2428-38 (2010)
Article DOI: 10.1016/j.bmc.2010.02.058 BindingDB Entry DOI: 10.7270/Q2V124ZP |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50440474
(CHEMBL2425903)Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1 Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 775 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031 BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50440473
(CHEMBL2425904)Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 875 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of CDK9/CyclinT (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031 BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50440474
(CHEMBL2425903)Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1 Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of CDK7/Cyclin H (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031 BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50440473
(CHEMBL2425904)Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of CDK7/Cyclin H (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031 BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)Show InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Torino
Curated by ChEMBL
| Assay Description Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay |
Eur J Med Chem 46: 383-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.029 BindingDB Entry DOI: 10.7270/Q2SQ90NX |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50440474
(CHEMBL2425903)Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1 Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of CDK9/CyclinT (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031 BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM5566
(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of CDK1/Cyclin B (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031 BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50315414
((5-(4-Phenylsulfonylfurazan-3-yloxy)-1-hydroxypent...)Show SMILES OC(CCCCOc1nonc1S(=O)(=O)c1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C13H18N2O11P2S/c16-13(27(17,18)19,28(20,21)22)8-4-5-9-25-11-12(15-26-14-11)29(23,24)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H2,17,18,19)(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati... |
Bioorg Med Chem 18: 2428-38 (2010)
Article DOI: 10.1016/j.bmc.2010.02.058 BindingDB Entry DOI: 10.7270/Q2V124ZP |
More data for this Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50315415
((5-(3-Phenylsulfonylfuroxan-4-yloxy)-1-hydroxypent...)Show SMILES OC(CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)([P+](O)(O)[O-])[P+](O)(O)[O-] Show InChI InChI=1S/C13H18N2O12P2S/c16-13(28(18,19)20,29(21,22)23)8-4-5-9-26-11-12(15(17)27-14-11)30(24,25)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H2,18,19,20)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati... |
Bioorg Med Chem 18: 2428-38 (2010)
Article DOI: 10.1016/j.bmc.2010.02.058 BindingDB Entry DOI: 10.7270/Q2V124ZP |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50335631
(2-Nitro-3-oxo-3-[(4-trifluoromethyl)phenyl]aminopr...)Show SMILES [O-][N+](=O)C(=C=[N-])C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C10H5F3N3O3/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16(18)19/h1-4H,(H,15,17)/q-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Torino
Curated by ChEMBL
| Assay Description Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay |
Eur J Med Chem 46: 383-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.029 BindingDB Entry DOI: 10.7270/Q2SQ90NX |
More data for this Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50315412
(5-(4-Phenylfurazan-3-yloxy)pentylidenebis(phosphon...)Show InChI InChI=1S/C13H18N2O8P2/c16-24(17,18)11(25(19,20)21)8-4-5-9-22-13-12(14-23-15-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,16,17,18)(H2,19,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati... |
Bioorg Med Chem 18: 2428-38 (2010)
Article DOI: 10.1016/j.bmc.2010.02.058 BindingDB Entry DOI: 10.7270/Q2V124ZP |
More data for this Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50315413
(5-(3-Phenylfuroxan-4-yloxy)pentylidenebis(phosphon...)Show SMILES O[P+](O)([O-])C(CCCCOc1no[n+]([O-])c1-c1ccccc1)[P+](O)(O)[O-] Show InChI InChI=1S/C13H18N2O9P2/c16-15-12(10-6-2-1-3-7-10)13(14-24-15)23-9-5-4-8-11(25(17,18)19)26(20,21)22/h1-3,6-7,11H,4-5,8-9H2,(H2,17,18,19)(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati... |
Bioorg Med Chem 18: 2428-38 (2010)
Article DOI: 10.1016/j.bmc.2010.02.058 BindingDB Entry DOI: 10.7270/Q2V124ZP |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50335629
(2-Nitro-3-oxo-3-(biphenyl-4-yl)aminopropionitrile ...)Show SMILES [O-][N+](=O)C(=C=[N-])C(=O)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C15H10N3O3/c16-10-14(18(20)21)15(19)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,(H,17,19)/q-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Torino
Curated by ChEMBL
| Assay Description Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay |
Eur J Med Chem 46: 383-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.029 BindingDB Entry DOI: 10.7270/Q2SQ90NX |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50277785
(4'-Amino-6'-methylsulfanyl-[1,1';2',1'']terphenyl-...)Show SMILES CSc1c(C#N)c(N)c(C#N)c(-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C21H15N3S/c1-25-21-17(13-23)20(24)16(12-22)18(14-8-4-2-5-9-14)19(21)15-10-6-3-7-11-15/h2-11H,24H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) |
Bioorg Med Chem Lett 19: 2158-61 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.118 BindingDB Entry DOI: 10.7270/Q28G8KKM |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50335630
(2-Hydroxyimino-3-oxo-3-[4-(trifluoromethyl)phenyl]...)Show InChI InChI=1S/C10H6F3N3O2/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16-18/h1-4,8H,(H,15,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Torino
Curated by ChEMBL
| Assay Description Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay |
Eur J Med Chem 46: 383-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.029 BindingDB Entry DOI: 10.7270/Q2SQ90NX |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50277825
(4'-Amino-4,4''-dimethoxy-6'-methylsulfanyl-[1,1';2...)Show SMILES COc1ccc(cc1)-c1c(SC)c(C#N)c(N)c(C#N)c1-c1ccc(OC)cc1 Show InChI InChI=1S/C23H19N3O2S/c1-27-16-8-4-14(5-9-16)20-18(12-24)22(26)19(13-25)23(29-3)21(20)15-6-10-17(28-2)11-7-15/h4-11H,26H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) |
Bioorg Med Chem Lett 19: 2158-61 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.118 BindingDB Entry DOI: 10.7270/Q28G8KKM |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50335632
(2-Nitro-3-(4-nitrophenyl)amino-3-oxopropionitrile ...)Show SMILES [O-][N+](=O)C(=C=[N-])C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C9H5N4O5/c10-5-8(13(17)18)9(14)11-6-1-3-7(4-2-6)12(15)16/h1-4H,(H,11,14)/q-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Torino
Curated by ChEMBL
| Assay Description Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay |
Eur J Med Chem 46: 383-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.029 BindingDB Entry DOI: 10.7270/Q2SQ90NX |
More data for this Ligand-Target Pair | |
Glucose-6-phosphatase catalytic subunit 1
(Homo sapiens (Human)) | BDBM50277824
(4'-Amino-4-fluoro-2'',4''-dimethoxy-6'-methylsulfa...)Show SMILES COc1ccc(c(OC)c1)-c1c(C#N)c(N)c(C#N)c(SC)c1-c1ccc(F)cc1 |(18.9,-.54,;20.24,-1.31,;21.57,-.54,;21.57,1.01,;22.9,1.77,;24.24,1,;24.24,-.53,;25.57,-1.3,;25.58,-2.84,;22.91,-1.31,;25.57,1.77,;26.9,1,;26.9,-.54,;26.89,-2.08,;28.24,1.77,;29.58,1,;28.23,3.32,;29.57,4.1,;30.89,4.88,;26.9,4.08,;26.89,5.62,;28.23,6.4,;25.57,3.31,;24.24,4.08,;24.24,5.62,;22.91,6.39,;21.58,5.62,;20.24,6.39,;21.58,4.08,;22.91,3.31,)| Show InChI InChI=1S/C23H18FN3O2S/c1-28-15-8-9-16(19(10-15)29-2)21-17(11-25)22(27)18(12-26)23(30-3)20(21)13-4-6-14(24)7-5-13/h4-10H,27H2,1-3H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description Inhibition of glucose-6-phosphatase (unknown origin) |
Bioorg Med Chem Lett 19: 2158-61 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.118 BindingDB Entry DOI: 10.7270/Q28G8KKM |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50277823
(4'-Amino-4''-methoxy-6'-methylsulfanyl-[1,1';2',1'...)Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)c(C#N)c(SC)c1-c1ccccc1 Show InChI InChI=1S/C22H17N3OS/c1-26-16-10-8-15(9-11-16)19-17(12-23)21(25)18(13-24)22(27-2)20(19)14-6-4-3-5-7-14/h3-11H,25H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) |
Bioorg Med Chem Lett 19: 2158-61 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.118 BindingDB Entry DOI: 10.7270/Q28G8KKM |
More data for this Ligand-Target Pair | |