BDBM50353551 CHEMBL1830950
SMILES: CCOC(=O)c1ccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)o1
InChI Key: InChIKey=JVUKWXNRDHUQML-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50353551 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)) | BDBM50353551
(CHEMBL1830950)Show SMILES CCOC(=O)c1ccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)o1 Show InChI InChI=1S/C22H21F3N2O5/c1-4-30-20(29)17-8-7-15(31-17)11-27-12-21(2,3)18(19(27)28)32-14-6-5-13(10-26)16(9-14)22(23,24)25/h5-9,18H,4,11-12H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM50353551
(CHEMBL1830950)Show SMILES CCOC(=O)c1ccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)o1 Show InChI InChI=1S/C22H21F3N2O5/c1-4-30-20(29)17-8-7-15(31-17)11-27-12-21(2,3)18(19(27)28)32-14-6-5-13(10-26)16(9-14)22(23,24)25/h5-9,18H,4,11-12H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this Ligand-Target Pair | |