BDBM50157816 (2R,6S)-4-(3,4-Dichloro-phenyl)-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione::CHEMBL182593

SMILES: Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=GDWGFSJUAGVZQP-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50157816   

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))	BDBM50157816 ((2R,6S)-4-(3,4-Dichloro-phenyl)-4-aza-tricyclo[5.2...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C15H11Cl2NO2/c16-10-4-3-9(6-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	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))	BDBM50157816 ((2R,6S)-4-(3,4-Dichloro-phenyl)-4-aza-tricyclo[5.2...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C15H11Cl2NO2/c16-10-4-3-9(6-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	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))	BDBM50157816 ((2R,6S)-4-(3,4-Dichloro-phenyl)-4-aza-tricyclo[5.2...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C15H11Cl2NO2/c16-10-4-3-9(6-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2	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	180	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 dependent human prostate cancer cell MDA-MB-PCa2b proliferation				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))	BDBM50157816 ((2R,6S)-4-(3,4-Dichloro-phenyl)-4-aza-tricyclo[5.2...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C15H11Cl2NO2/c16-10-4-3-9(6-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2	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	307	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
Androgen Receptor (Homo sapiens (Human))	BDBM50157816 ((2R,6S)-4-(3,4-Dichloro-phenyl)-4-aza-tricyclo[5.2...) Show SMILES Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |c:6,THB:9:8:6.7:4| Show InChI InChI=1S/C15H11Cl2NO2/c16-10-4-3-9(6-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,19-20H,5H2	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	41	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