Found 7 hits for monomerid = 50254466 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 |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.16 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128 BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this Ligand-Target Pair | |