null

SMILES: COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1

InChI Key: InChIKey=GCUMDODJOAYRHG-NRFANRHFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50007609   

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))	BDBM50007609 (CHEMBL3238283) Show SMILES COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r| Show InChI InChI=1S/C21H20N2O5/c1-21(26,13-28-16-8-6-14(7-9-16)19(24)27-2)20(25)23-11-10-17-15(12-22)4-3-5-18(17)23/h3-9,26H,10-11,13H2,1-2H3/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressing human AR-LBD (644-919 aa) assessed as N/C-termini interaction by a...				J Med Chem 57: 2462-71 (2014) Article DOI: 10.1021/jm401625b BindingDB Entry DOI: 10.7270/Q2RB763C
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50007609 (CHEMBL3238283) Show SMILES COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r| Show InChI InChI=1S/C21H20N2O5/c1-21(26,13-28-16-8-6-14(7-9-16)19(24)27-2)20(25)23-11-10-17-15(12-22)4-3-5-18(17)23/h3-9,26H,10-11,13H2,1-2H3/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting				J Med Chem 57: 2462-71 (2014) Article DOI: 10.1021/jm401625b BindingDB Entry DOI: 10.7270/Q2RB763C
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50007609 (CHEMBL3238283) Show SMILES COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r| Show InChI InChI=1S/C21H20N2O5/c1-21(26,13-28-16-8-6-14(7-9-16)19(24)27-2)20(25)23-11-10-17-15(12-22)4-3-5-18(17)23/h3-9,26H,10-11,13H2,1-2H3/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.80	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay				J Med Chem 57: 2462-71 (2014) Article DOI: 10.1021/jm401625b BindingDB Entry DOI: 10.7270/Q2RB763C
					More data for this Ligand-Target Pair