BDBM50158071 (2S,6R)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione::CHEMBL368906

SMILES: Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

InChI Key: InChIKey=LJBWEBKKYMAFTF-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50158071   

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))	BDBM50158071 ((2S,6R)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |c:6,TLB:1:2:6.7:4,THB:9:8:6.7:4| Show InChI InChI=1S/C16H11F3N2O4/c17-16(18,19)10-6-9(3-4-11(10)21(24)25)20-14(22)12-7-1-2-8(5-7)13(12)15(20)23/h1-4,6-8,22-23H,5H2	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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50158071 ((2S,6R)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |c:6,TLB:1:2:6.7:4,THB:9:8:6.7:4| Show InChI InChI=1S/C16H11F3N2O4/c17-16(18,19)10-6-9(3-4-11(10)21(24)25)20-14(22)12-7-1-2-8(5-7)13(12)15(20)23/h1-4,6-8,22-23H,5H2	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	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DHT binding to androgen receptor of MDA-453 cells				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50158071 ((2S,6R)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |c:6,TLB:1:2:6.7:4,THB:9:8:6.7:4| Show InChI InChI=1S/C16H11F3N2O4/c17-16(18,19)10-6-9(3-4-11(10)21(24)25)20-14(22)12-7-1-2-8(5-7)13(12)15(20)23/h1-4,6-8,22-23H,5H2	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	119	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human androgen receptor of breast carcinoma MDA-453 cells in reporter gene assay				Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ
					More data for this Ligand-Target Pair