BDBM50157827 (2S,6R)-4-(4-Nitro-naphthalen-1-yl)-4-aza-tricyclo[5.3.2.0*2,6*]dodec-11-ene-3,5-dione::CHEMBL369542

SMILES: Oc1c2C3CCCC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12

InChI Key: InChIKey=VQRZUXKMLXQVAW-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 = 50157827   

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))	BDBM50157827 ((2S,6R)-4-(4-Nitro-naphthalen-1-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CCCC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:8,THB:11:10:9.8:5.4.6,(.68,2.16,;-.58,1.25,;-2.03,1.74,;-3.5,2.21,;-3.83,3.73,;-5.9,3.54,;-4.76,2.51,;-4.46,1,;-5.97,.69,;-5.02,1.91,;-2.94,.48,;-2.03,-.75,;-2.51,-2.22,;-.58,-.29,;.77,-1.06,;.77,-2.6,;2.1,-3.37,;3.43,-2.6,;4.78,-3.39,;4.77,-4.93,;6.11,-2.62,;3.43,-1.06,;4.76,-.29,;4.76,1.25,;3.41,2.02,;2.08,1.25,;2.1,-.29,)| Show InChI InChI=1S/C21H18N2O4/c24-20-18-12-4-3-5-13(9-8-12)19(18)21(25)22(20)16-10-11-17(23(26)27)15-7-2-1-6-14(15)16/h1-2,6-13,24-25H,3-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM50157827 ((2S,6R)-4-(4-Nitro-naphthalen-1-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CCCC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:8,THB:11:10:9.8:5.4.6,(.68,2.16,;-.58,1.25,;-2.03,1.74,;-3.5,2.21,;-3.83,3.73,;-5.9,3.54,;-4.76,2.51,;-4.46,1,;-5.97,.69,;-5.02,1.91,;-2.94,.48,;-2.03,-.75,;-2.51,-2.22,;-.58,-.29,;.77,-1.06,;.77,-2.6,;2.1,-3.37,;3.43,-2.6,;4.78,-3.39,;4.77,-4.93,;6.11,-2.62,;3.43,-1.06,;4.76,-.29,;4.76,1.25,;3.41,2.02,;2.08,1.25,;2.1,-.29,)| Show InChI InChI=1S/C21H18N2O4/c24-20-18-12-4-3-5-13(9-8-12)19(18)21(25)22(20)16-10-11-17(23(26)27)15-7-2-1-6-14(15)16/h1-2,6-13,24-25H,3-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM50157827 ((2S,6R)-4-(4-Nitro-naphthalen-1-yl)-4-aza-tricyclo...) Show SMILES Oc1c2C3CCCC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:8,THB:11:10:9.8:5.4.6,(.68,2.16,;-.58,1.25,;-2.03,1.74,;-3.5,2.21,;-3.83,3.73,;-5.9,3.54,;-4.76,2.51,;-4.46,1,;-5.97,.69,;-5.02,1.91,;-2.94,.48,;-2.03,-.75,;-2.51,-2.22,;-.58,-.29,;.77,-1.06,;.77,-2.6,;2.1,-3.37,;3.43,-2.6,;4.78,-3.39,;4.77,-4.93,;6.11,-2.62,;3.43,-1.06,;4.76,-.29,;4.76,1.25,;3.41,2.02,;2.08,1.25,;2.1,-.29,)| Show InChI InChI=1S/C21H18N2O4/c24-20-18-12-4-3-5-13(9-8-12)19(18)21(25)22(20)16-10-11-17(23(26)27)15-7-2-1-6-14(15)16/h1-2,6-13,24-25H,3-5H2	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	49	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