BDBM50204250 CHEMBL3949176

SMILES: [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O

InChI Key: InChIKey=DPJKXHZJCPOPBS-RLPSOPLKSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50204250   

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))	BDBM50204250 (CHEMBL3949176) Show SMILES [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H16F4N2O2S/c1-16-13-4-10(5-15(13)18)14(16)8-23(26(16,24)25)11-3-2-9(7-22)12(6-11)17(19,20)21/h2-3,6,10,13-15H,4-5,8H2,1H3/t10-,13+,14+,15+,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50204250 (CHEMBL3949176) Show SMILES [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H16F4N2O2S/c1-16-13-4-10(5-15(13)18)14(16)8-23(26(16,24)25)11-3-2-9(7-22)12(6-11)17(19,20)21/h2-3,6,10,13-15H,4-5,8H2,1H3/t10-,13+,14+,15+,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation				Bioorg Med Chem Lett 26: 5707-5711 (2016) Article DOI: 10.1016/j.bmcl.2016.10.059 BindingDB Entry DOI: 10.7270/Q2PK0J43
					More data for this Ligand-Target Pair