BDBM50157818 (2R,6S,10R,11S)-4-(4-Bromo-3-methyl-phenyl)-10,11-dihydroxy-4-aza-tricyclo[5.2.2.0*2,6*]undec-8-ene-3,5-dione::CHEMBL427502

SMILES: Cc1cc(ccc1Br)-n1c(O)c2C3C=CC([C@H](O)[C@@H]3O)c2c1O

InChI Key: InChIKey=VSFGIDVAKBHPOE-PDPWUNHUSA-N

Data: 2 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 4 hits for monomerid = 50157818   

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))	BDBM50157818 ((2R,6S,10R,11S)-4-(4-Bromo-3-methyl-phenyl)-10,11-...) Show SMILES Cc1cc(ccc1Br)-n1c(O)c2C3C=CC([C@H](O)[C@@H]3O)c2c1O |c:14,TLB:9:11:16.18:14.13,19:18:20.11:14.13,THB:17:16:20.11:14.13| Show InChI InChI=1S/C17H16BrNO4/c1-7-6-8(2-5-11(7)18)19-16(22)12-9-3-4-10(13(12)17(19)23)15(21)14(9)20/h2-6,9-10,14-15,20-23H,1H3/t9?,10?,14-,15+	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	33	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 Binding affinity for mutant T877A Androgen receptor in human LNCaP cells				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50157818 ((2R,6S,10R,11S)-4-(4-Bromo-3-methyl-phenyl)-10,11-...) Show SMILES Cc1cc(ccc1Br)-n1c(O)c2C3C=CC([C@H](O)[C@@H]3O)c2c1O |c:14,TLB:9:11:16.18:14.13,19:18:20.11:14.13,THB:17:16:20.11:14.13| Show InChI InChI=1S/C17H16BrNO4/c1-7-6-8(2-5-11(7)18)19-16(22)12-9-3-4-10(13(12)17(19)23)15(21)14(9)20/h2-6,9-10,14-15,20-23H,1H3/t9?,10?,14-,15+	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	432	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 Binding affinity for androgen receptor in human MDA-453 cells				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50157818 ((2R,6S,10R,11S)-4-(4-Bromo-3-methyl-phenyl)-10,11-...) Show SMILES Cc1cc(ccc1Br)-n1c(O)c2C3C=CC([C@H](O)[C@@H]3O)c2c1O |c:14,TLB:9:11:16.18:14.13,19:18:20.11:14.13,THB:17:16:20.11:14.13| Show InChI InChI=1S/C17H16BrNO4/c1-7-6-8(2-5-11(7)18)19-16(22)12-9-3-4-10(13(12)17(19)23)15(21)14(9)20/h2-6,9-10,14-15,20-23H,1H3/t9?,10?,14-,15+	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	59	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 mutant T877A Androgen receptor in human LNCaP cells				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50157818 ((2R,6S,10R,11S)-4-(4-Bromo-3-methyl-phenyl)-10,11-...) Show SMILES Cc1cc(ccc1Br)-n1c(O)c2C3C=CC([C@H](O)[C@@H]3O)c2c1O |c:14,TLB:9:11:16.18:14.13,19:18:20.11:14.13,THB:17:16:20.11:14.13| Show InChI InChI=1S/C17H16BrNO4/c1-7-6-8(2-5-11(7)18)19-16(22)12-9-3-4-10(13(12)17(19)23)15(21)14(9)20/h2-6,9-10,14-15,20-23H,1H3/t9?,10?,14-,15+	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	5.24E+3	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 androgen receptor in human MDA-453 cells				Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH
					More data for this Ligand-Target Pair