BDBM50323014 4-((1S,2S,6R,7R)-9-Isopropyl-1,7-dimethyl-3,5,8,10-tetraoxo-9-oxy-11-oxa-4,9-diaza-tricyclo[5.3.1.0*2,6*]undec-4-yl)-2-trifluoromethyl-benzonitrile::CHEMBL1210843

SMILES: CC(C)[N+]1([O-])C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O

InChI Key: InChIKey=ZCVMTEFQAHFRHJ-NNJHRLFQSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50323014   

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))	BDBM50323014 (4-((1S,2S,6R,7R)-9-Isopropyl-1,7-dimethyl-3,5,8,10...) Show SMILES CC(C)[N+]1([O-])C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C21H18F3N3O6/c1-9(2)27(32)17(30)19(3)13-14(20(4,33-19)18(27)31)16(29)26(15(13)28)11-6-5-10(8-25)12(7-11)21(22,23)24/h5-7,9,28-29H,1-4H3/t19-,20+,27?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50323014 (4-((1S,2S,6R,7R)-9-Isopropyl-1,7-dimethyl-3,5,8,10...) Show SMILES CC(C)[N+]1([O-])C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C21H18F3N3O6/c1-9(2)27(32)17(30)19(3)13-14(20(4,33-19)18(27)31)16(29)26(15(13)28)11-6-5-10(8-25)12(7-11)21(22,23)24/h5-7,9,28-29H,1-4H3/t19-,20+,27?	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at wild type human AR expressed in human LNCAP cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50323014 (4-((1S,2S,6R,7R)-9-Isopropyl-1,7-dimethyl-3,5,8,10...) Show SMILES CC(C)[N+]1([O-])C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C21H18F3N3O6/c1-9(2)27(32)17(30)19(3)13-14(20(4,33-19)18(27)31)16(29)26(15(13)28)11-6-5-10(8-25)12(7-11)21(22,23)24/h5-7,9,28-29H,1-4H3/t19-,20+,27?	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	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair