null

SMILES: CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)[N+]([O-])=O)c(=O)n21

InChI Key: InChIKey=AUVVLUUBOATATQ-PMACEKPBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50156514   

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))	BDBM50156514 ((1S,6R,7S)-8-(4-Butyl-benzoyl)-4-(4-nitro-phenyl)-...) Show SMILES CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)[N+]([O-])=O)c(=O)n21 Show InChI InChI=1S/C24H24N4O5/c1-2-3-4-15-5-7-16(8-6-15)22(29)25-14-19-13-20(25)21-23(30)27(24(31)26(19)21)17-9-11-18(12-10-17)28(32)33/h5-12,19-20,30H,2-4,13-14H2,1H3/t19-,20-/m0/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	70	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 Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156514 ((1S,6R,7S)-8-(4-Butyl-benzoyl)-4-(4-nitro-phenyl)-...) Show SMILES CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)[N+]([O-])=O)c(=O)n21 Show InChI InChI=1S/C24H24N4O5/c1-2-3-4-15-5-7-16(8-6-15)22(29)25-14-19-13-20(25)21-23(30)27(24(31)26(19)21)17-9-11-18(12-10-17)28(32)33/h5-12,19-20,30H,2-4,13-14H2,1H3/t19-,20-/m0/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	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro antagonistic activity against mutant androgen receptor of LNCap cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156514 ((1S,6R,7S)-8-(4-Butyl-benzoyl)-4-(4-nitro-phenyl)-...) Show SMILES CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)[N+]([O-])=O)c(=O)n21 Show InChI InChI=1S/C24H24N4O5/c1-2-3-4-15-5-7-16(8-6-15)22(29)25-14-19-13-20(25)21-23(30)27(24(31)26(19)21)17-9-11-18(12-10-17)28(32)33/h5-12,19-20,30H,2-4,13-14H2,1H3/t19-,20-/m0/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	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro antagonistic activity against androgen receptor of MDA-453 cells				Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W
					More data for this Ligand-Target Pair