Found 4 hits for monomerid = 50238127 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 |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50238127
(CHEMBL4092535)Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(F)c1C |r| Show InChI InChI=1S/C14H17FN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of rat liver pyruvate kinase (PK-L) at 10.7 mM |
Bioorg Med Chem Lett 27: 1897-1901 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.038 BindingDB Entry DOI: 10.7270/Q2G16335 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50238127
(CHEMBL4092535)Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(F)c1C |r| Show InChI InChI=1S/C14H17FN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human AR expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem 25: 3330-3349 (2017)
Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50238127
(CHEMBL4092535)Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(F)c1C |r| Show InChI InChI=1S/C14H17FN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs |
Bioorg Med Chem 25: 3330-3349 (2017)
Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50238127
(CHEMBL4092535)Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(F)c1C |r| Show InChI InChI=1S/C14H17FN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of rat liver pyruvate kinase (PK-L) at 7.2 mM |
Bioorg Med Chem Lett 27: 1897-1901 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.038 BindingDB Entry DOI: 10.7270/Q2G16335 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |