Found 122 hits with Last Name = 'ruan' and Initial = 'x' 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 |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50448167
(CHEMBL3120318)Show SMILES CC\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C24H23NO3S/c1-3-20(17-10-8-11-19(15-17)25-29(2,26)27)24-21-12-5-4-9-18(21)16-28-23-14-7-6-13-22(23)24/h4-15,25H,3,16H2,1-2H3/b24-20+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.146 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50448165
(CHEMBL3120320)Show SMILES [#6]S(=O)(=O)[#7]-c1cccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)c1 Show InChI InChI=1S/C23H21NO2S/c1-27(25,26)24-20-10-6-7-17(15-20)16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-12,15-16,24H,13-14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.226 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50448166
(CHEMBL3120319)Show SMILES C\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C23H21NO3S/c1-16(17-9-7-10-19(14-17)24-28(2,25)26)23-20-11-4-3-8-18(20)15-27-22-13-6-5-12-21(22)23/h3-14,24H,15H2,1-2H3/b23-16+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.257 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50448168
(CHEMBL3120317)Show SMILES CC\C(c1cccc(NS(C)(=O)=O)c1)=C1/c2ccccc2OCc2cccc(OC)c12 Show InChI InChI=1S/C25H25NO4S/c1-4-20(17-9-7-11-19(15-17)26-31(3,27)28)25-21-12-5-6-13-22(21)30-16-18-10-8-14-23(29-2)24(18)25/h5-15,26H,4,16H2,1-3H3/b25-20- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.268 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM19190
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23| Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50448166
(CHEMBL3120319)Show SMILES C\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C23H21NO3S/c1-16(17-9-7-10-19(14-17)24-28(2,25)26)23-20-11-4-3-8-18(20)15-27-22-13-6-5-12-21(22)23/h3-14,24H,15H2,1-2H3/b23-16+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.342 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50448167
(CHEMBL3120318)Show SMILES CC\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C24H23NO3S/c1-3-20(17-10-8-11-19(15-17)25-29(2,26)27)24-21-12-5-4-9-18(21)16-28-23-14-7-6-13-22(23)24/h4-15,25H,3,16H2,1-2H3/b24-20+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.967 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM19190
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23| Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50448165
(CHEMBL3120320)Show SMILES [#6]S(=O)(=O)[#7]-c1cccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)c1 Show InChI InChI=1S/C23H21NO2S/c1-27(25,26)24-20-10-6-7-17(15-20)16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-12,15-16,24H,13-14H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50448166
(CHEMBL3120319)Show SMILES C\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C23H21NO3S/c1-16(17-9-7-10-19(14-17)24-28(2,25)26)23-20-11-4-3-8-18(20)15-27-22-13-6-5-12-21(22)23/h3-14,24H,15H2,1-2H3/b23-16+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50448168
(CHEMBL3120317)Show SMILES CC\C(c1cccc(NS(C)(=O)=O)c1)=C1/c2ccccc2OCc2cccc(OC)c12 Show InChI InChI=1S/C25H25NO4S/c1-4-20(17-9-7-11-19(15-17)26-31(3,27)28)25-21-12-5-6-13-22(21)30-16-18-10-8-14-23(29-2)24(18)25/h5-15,26H,4,16H2,1-3H3/b25-20- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50448166
(CHEMBL3120319)Show SMILES C\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C23H21NO3S/c1-16(17-9-7-10-19(14-17)24-28(2,25)26)23-20-11-4-3-8-18(20)15-27-22-13-6-5-12-21(22)23/h3-14,24H,15H2,1-2H3/b23-16+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human progesterone receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50448167
(CHEMBL3120318)Show SMILES CC\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C24H23NO3S/c1-3-20(17-10-8-11-19(15-17)25-29(2,26)27)24-21-12-5-4-9-18(21)16-28-23-14-7-6-13-22(23)24/h4-15,25H,3,16H2,1-2H3/b24-20+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50448167
(CHEMBL3120318)Show SMILES CC\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C24H23NO3S/c1-3-20(17-10-8-11-19(15-17)25-29(2,26)27)24-21-12-5-4-9-18(21)16-28-23-14-7-6-13-22(23)24/h4-15,25H,3,16H2,1-2H3/b24-20+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human progesterone receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50448168
(CHEMBL3120317)Show SMILES CC\C(c1cccc(NS(C)(=O)=O)c1)=C1/c2ccccc2OCc2cccc(OC)c12 Show InChI InChI=1S/C25H25NO4S/c1-4-20(17-9-7-11-19(15-17)26-31(3,27)28)25-21-12-5-6-13-22(21)30-16-18-10-8-14-23(29-2)24(18)25/h5-15,26H,4,16H2,1-3H3/b25-20- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human progesterone receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50448165
(CHEMBL3120320)Show SMILES [#6]S(=O)(=O)[#7]-c1cccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)c1 Show InChI InChI=1S/C23H21NO2S/c1-27(25,26)24-20-10-6-7-17(15-20)16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-12,15-16,24H,13-14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human progesterone receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50448169
(CHEMBL3120316)Show SMILES [#7]-c1cccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)c1 Show InChI InChI=1S/C22H19N/c23-19-9-5-6-16(14-19)15-22-20-10-3-1-7-17(20)12-13-18-8-2-4-11-21(18)22/h1-11,14-15H,12-13,23H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50185243
(5-benzylidene-10,11-dihydro-5H-dibenzo[a,d]cyclohe...)Show SMILES [#6]-1-[#6]-c2ccccc2\[#6](=[#6]/c2ccccc2)-c2ccccc-12 Show InChI InChI=1S/C22H18/c1-2-8-17(9-3-1)16-22-20-12-6-4-10-18(20)14-15-19-11-5-7-13-21(19)22/h1-13,16H,14-15H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50448170
(CHEMBL3120315)Show SMILES [#6]-[#7]S(=O)(=O)c1cccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)c1 Show InChI InChI=1S/C23H21NO2S/c1-24-27(25,26)20-10-6-7-17(15-20)16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-12,15-16,24H,13-14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50448171
(CHEMBL3120323)Show SMILES [#6]S(=O)(=O)[#7]-c1ccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)cc1 Show InChI InChI=1S/C23H21NO2S/c1-27(25,26)24-20-14-10-17(11-15-20)16-23-21-8-4-2-6-18(21)12-13-19-7-3-5-9-22(19)23/h2-11,14-16,24H,12-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50448172
(CHEMBL3120322)Show SMILES [#6]S(=O)(=O)[#7]-c1ccccc1\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C23H21NO2S/c1-27(25,26)24-23-13-7-4-10-19(23)16-22-20-11-5-2-8-17(20)14-15-18-9-3-6-12-21(18)22/h2-13,16,24H,14-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50448173
(CHEMBL3120321)Show SMILES CCOc1cccc2COc3ccccc3\C(=C(/CC)c3cccc(c3)N(CC)S(C)(=O)=O)c12 Show InChI InChI=1S/C28H31NO4S/c1-5-23(20-12-10-14-22(18-20)29(6-2)34(4,30)31)28-24-15-8-9-16-25(24)33-19-21-13-11-17-26(27(21)28)32-7-3/h8-18H,5-7,19H2,1-4H3/b28-23- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50448168
(CHEMBL3120317)Show SMILES CC\C(c1cccc(NS(C)(=O)=O)c1)=C1/c2ccccc2OCc2cccc(OC)c12 Show InChI InChI=1S/C25H25NO4S/c1-4-20(17-9-7-11-19(15-17)26-31(3,27)28)25-21-12-5-6-13-22(21)30-16-18-10-8-14-23(29-2)24(18)25/h5-15,26H,4,16H2,1-3H3/b25-20- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 239 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50448165
(CHEMBL3120320)Show SMILES [#6]S(=O)(=O)[#7]-c1cccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)c1 Show InChI InChI=1S/C23H21NO2S/c1-27(25,26)24-20-10-6-7-17(15-20)16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-12,15-16,24H,13-14H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 418 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 561 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human progesterone receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM19190
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23| Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM19190
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23| Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from human progesterone receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072265
(CHEMBL3408320)Show InChI InChI=1S/C16H18N4O3/c1-4-19-12-7-6-10(8-13(12)20(5-2)16(19)23)14(21)11-9-17-18(3)15(11)22/h6-9,22H,4-5H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072237
(CHEMBL3408314)Show InChI InChI=1S/C15H16N4O3/c1-4-19-12-7-9(5-6-11(12)17(2)15(19)22)13(20)10-8-16-18(3)14(10)21/h5-8,21H,4H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072264
(CHEMBL3408319)Show InChI InChI=1S/C17H20N4O3/c1-4-8-21-14-9-11(6-7-13(14)20(5-2)17(21)24)15(22)12-10-18-19(3)16(12)23/h6-7,9-10,23H,4-5,8H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072269
(CHEMBL3408324)Show InChI InChI=1S/C17H20N4O3/c1-4-8-21-13-7-6-11(9-14(13)20(5-2)17(21)24)15(22)12-10-18-19(3)16(12)23/h6-7,9-10,23H,4-5,8H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072270
(CHEMBL3408325)Show InChI InChI=1S/C18H22N4O3/c1-4-8-21-14-7-6-12(10-15(14)22(9-5-2)18(21)25)16(23)13-11-19-20(3)17(13)24/h6-7,10-11,24H,4-5,8-9H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072230
(CHEMBL3408157)Show InChI InChI=1S/C16H18N4O3/c1-4-7-20-13-8-10(5-6-12(13)18(2)16(20)23)14(21)11-9-17-19(3)15(11)22/h5-6,8-9,22H,4,7H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072236
(CHEMBL3408313)Show InChI InChI=1S/C16H18N4O3/c1-9(2)20-13-7-10(5-6-12(13)18(3)16(20)23)14(21)11-8-17-19(4)15(11)22/h5-9,22H,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072266
(CHEMBL3408321)Show InChI InChI=1S/C17H20N4O3/c1-5-20-13-7-6-11(8-14(13)21(10(2)3)17(20)24)15(22)12-9-18-19(4)16(12)23/h6-10,23H,5H2,1-4H3 | PDB
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 |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072223
(CHEMBL3408156)Show SMILES CCC(=O)C(C(C)=O)C(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F Show InChI InChI=1S/C14H12F3NO5/c1-3-11(20)12(7(2)19)13(21)9-5-4-8(14(15,16)17)6-10(9)18(22)23/h4-6,12H,3H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072271
(CHEMBL3408326)Show SMILES CCCn1c2ccc(cc2n(c1=O)C(C)(C)C)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C19H24N4O3/c1-6-9-22-14-8-7-12(16(24)13-11-20-21(5)17(13)25)10-15(14)23(18(22)26)19(2,3)4/h7-8,10-11,25H,6,9H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
Phosphoglycerate mutase 1
(Homo sapiens (Human)) | BDBM50266306
(CHEMBL4760337)Show SMILES Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C27H26N4O3/c1-16-14-22-23(29(3)27(34)28(22)2)15-21(16)31-25(32)18-9-7-8-17-20(30-12-5-4-6-13-30)11-10-19(24(17)18)26(31)33/h7-11,14-15H,4-6,12-13H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant PGAM1 by measuring decrease in OD by enzyme based assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.01.085 BindingDB Entry DOI: 10.7270/Q2ZS314K |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072263
(CHEMBL3408318)Show SMILES Cn1ncc(C(=O)c2ccc3n(C)c(=O)n(C4CC4)c3c2)c1O Show InChI InChI=1S/C16H16N4O3/c1-18-12-6-3-9(14(21)11-8-17-19(2)15(11)22)7-13(12)20(16(18)23)10-4-5-10/h3,6-8,10,22H,4-5H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072238
(CHEMBL3408315)Show SMILES Cn1ncc(C(=O)c2ccc3n(C)c(=O)n(c3c2)C(C)(C)C)c1O Show InChI InChI=1S/C17H20N4O3/c1-17(2,3)21-13-8-10(6-7-12(13)19(4)16(21)24)14(22)11-9-18-20(5)15(11)23/h6-9,23H,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072235
(CHEMBL3408312)Show SMILES Cn1ncc(C(=O)c2ccc3n(C)c(=O)n(C4CCCC4)c3c2)c1O Show InChI InChI=1S/C18H20N4O3/c1-20-14-8-7-11(16(23)13-10-19-21(2)17(13)24)9-15(14)22(18(20)25)12-5-3-4-6-12/h7-10,12,24H,3-6H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072240
(CHEMBL3408317)Show SMILES Cn1ncc(C(=O)c2ccc3n(C)c(=O)n(Cc4ccccc4)c3c2)c1O Show InChI InChI=1S/C20H18N4O3/c1-22-16-9-8-14(18(25)15-11-21-23(2)19(15)26)10-17(16)24(20(22)27)12-13-6-4-3-5-7-13/h3-11,26H,12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072232
(CHEMBL3408311)Show InChI InChI=1S/C17H20N4O3/c1-10(2)9-21-14-7-11(5-6-13(14)19(3)17(21)24)15(22)12-8-18-20(4)16(12)23/h5-8,10,23H,9H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
Phosphoglycerate mutase 1
(Homo sapiens (Human)) | BDBM50266303
(CHEMBL4763924)Show SMILES Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H26N4O4/c1-15-13-22-23(29(3)27(35)28(22)2)14-21(15)31-25(33)18-6-4-5-17-20(30-11-9-16(32)10-12-30)8-7-19(24(17)18)26(31)34/h4-8,13-14,16,32H,9-12H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| 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 |
TBA
| Assay Description Inhibition of human recombinant PGAM1 by measuring decrease in OD by enzyme based assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.01.085 BindingDB Entry DOI: 10.7270/Q2ZS314K |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072267
(CHEMBL3408322)Show SMILES CCn1c2ccc(cc2n(c1=O)C(C)(C)C)C(=O)c1cnn(C)c1O Show InChI InChI=1S/C18H22N4O3/c1-6-21-13-8-7-11(15(23)12-10-19-20(5)16(12)24)9-14(13)22(17(21)25)18(2,3)4/h7-10,24H,6H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
4-hydroxyphenylpyruvate dioxygenase
(Homo sapiens (Human)) | BDBM50072231
(CHEMBL3408310)Show InChI InChI=1S/C17H20N4O3/c1-4-5-8-21-14-9-11(6-7-13(14)19(2)17(21)24)15(22)12-10-18-20(3)16(12)23/h6-7,9-10,23H,4-5,8H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Central China Normal University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis |
Eur J Med Chem 92: 427-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.018 BindingDB Entry DOI: 10.7270/Q20C4XFX |
More data for this Ligand-Target Pair | |
Phosphoglycerate mutase 1
(Homo sapiens (Human)) | BDBM50266322
(CHEMBL4789955)Show SMILES Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H31N5O3/c1-18-16-24-25(32(4)29(37)31(24)3)17-23(18)34-27(35)20-9-7-8-19-22(11-10-21(26(19)20)28(34)36)30(2)14-15-33-12-5-6-13-33/h7-11,16-17H,5-6,12-15H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant PGAM1 by measuring decrease in OD by enzyme based assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.01.085 BindingDB Entry DOI: 10.7270/Q2ZS314K |
More data for this Ligand-Target Pair | |