BDBM50403731 CHEMBL2112216

SMILES: CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F

InChI Key: InChIKey=PQVATNBHWHZLJI-BDAKNGLRSA-N

Data: 1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50403731   

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))	BDBM50403731 (CHEMBL2112216) Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r| Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(21)22-14/h5-9,20H,3-4H2,1-2H3/t8-,9+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity at human androgen receptor transfected into COS cells.				Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50403731 (CHEMBL2112216) Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r| Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(21)22-14/h5-9,20H,3-4H2,1-2H3/t8-,9+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description In vitro agonistic activity against human androgen receptor using cotransfection assay in CV-1 cells.				Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50403731 (CHEMBL2112216) Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r| Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(21)22-14/h5-9,20H,3-4H2,1-2H3/t8-,9+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description In vitro agonistic activity against human androgen receptor using cotransfection assay in CV-1 cells.				Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8
					More data for this Ligand-Target Pair