Found 19 hits for monomerid = 50246120 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 3A4
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Reversible inhibition of CYP3A4 in human liver microsomes |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
Prkaa1/Prkab2/Prkag1
(Rattus norvegicus) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Terns Pharmaceuticals
Curated by ChEMBL
| Assay Description Activation of rat hepatocytes AMPK alpha1/beta2/gamma1 expressed in baculovirus infected Sf9 cells |
J Med Chem 63: 5031-5073 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01701 |
More data for this Ligand-Target Pair | |
Transcription factor Dp-2
(Homo sapiens) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to DP2 receptor (unknown origin) |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
Transcription factor Dp-2
(Homo sapiens) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >8.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to DP2 receptor (unknown origin) in presence of 10% human serum |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
5'-AMP-activated protein kinase Complex 1
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 1 alpha1/beta1/gamma1 expressed in baculovirus infected Sf21 cells assessed as phos... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
AMPK alpha1/beta1/gamma2
(Homo sapiens-Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 2 alpha1/beta1/gamma2 expressed in baculovirus infected Sf21 cells assessed as phos... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
AMPK alpha1/beta1/gamma3
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 3 alpha1/beta1/gamma3 expressed in baculovirus infected Sf21 cells assessed as phos... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit gamma-2
(Homo sapiens) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | UniProtKB/SwissProt UniProtKB/TrEMBL
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| n/a | n/a | n/a | n/a | 118 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 5 alpha1/beta2/gamma2 expressed in baculovirus infected Sf21 cells assessed as phos... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
AMP-activated protein kinase alpha-1/beta-2/gamma-3
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 2.86E+3 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 6 alpha1/beta2/gamma3 expressed in baculovirus infected Sf21 cells assessed as phos... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit beta-1
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 9 alpha2/beta1/gamma3 expressed in baculovirus infected Sf21 cells assessed as phos... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
5'-AMP-activated protein kinase subunit gamma-1
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 10 alpha2/beta2/gamma1 expressed in baculovirus infected Sf21 cells assessed as pho... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
AMP-activated protein kinase alpha-2/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 11 alpha2/beta2/gamma2 expressed in baculovirus infected Sf21 cells assessed as pho... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
AMPK alpha1/beta2/gamma1
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 4 alpha1/beta2/gamma1 expressed in baculovirus infected Sf21 cells assessed as phos... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-2/beta-1/gamma-2
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 8 alpha2/beta1/gamma2 expressed in baculovirus infected Sf21 cells assessed as phos... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
AMPK alpha2/beta2/gamma3
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 12 alpha2/beta2/gamma3 expressed in baculovirus infected Sf21 cells assessed as pho... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
Pregnane X receptor
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Activation of human PXR transfected in human hepatoma cells assessed as induction of CYP3A4 by luciferase reporter gene assay |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
MAP kinase-activated protein kinase 5
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human N-terminal His6-tagged PRAK expressed in baculovirus infected Sf21 cells |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
AMPK alpha2/beta1/gamma1
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant phosphorylated AMPK complex 7 alpha2/beta1/gamma1 expressed in baculovirus infected Sf21 cells assessed as phos... |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50246120
(CHEMBL4082745)Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Reversible inhibition of CYP2D6 in human liver microsomes |
J Med Chem 60: 9040-9052 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01344 BindingDB Entry DOI: 10.7270/Q2V69N0Q |
More data for this Ligand-Target Pair | |