BDBM50205108 8-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrrolo[1,2-e]imidazol-2(3H)-yl)quinoline-5-carbonitrile::CHEMBL397274

SMILES: O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3cccnc13)c2=O

InChI Key: InChIKey=PAVIAQGDIMHLNA-GFCCVEGCSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50205108   

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))	BDBM50205108 (8-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3cccnc13)c2=O |wU:1.0,(15.06,5.91,;15.52,4.44,;14.61,3.19,;15.51,1.94,;16.98,2.41,;16.99,3.95,;18.45,4.42,;18.94,5.88,;19.35,3.17,;20.89,3.16,;21.66,4.49,;23.2,4.48,;23.97,3.14,;25.51,3.14,;27.05,3.13,;23.19,1.81,;23.96,.47,;23.18,-.86,;21.63,-.85,;20.87,.49,;21.65,1.82,;18.44,1.93,;18.9,.46,)| Show InChI InChI=1S/C16H12N4O3/c17-8-9-3-4-11(13-10(9)2-1-6-18-13)20-15(22)14-12(21)5-7-19(14)16(20)23/h1-4,6,12,21-22H,5,7H2/t12-/m1/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	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205108 (8-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3cccnc13)c2=O |wU:1.0,(15.06,5.91,;15.52,4.44,;14.61,3.19,;15.51,1.94,;16.98,2.41,;16.99,3.95,;18.45,4.42,;18.94,5.88,;19.35,3.17,;20.89,3.16,;21.66,4.49,;23.2,4.48,;23.97,3.14,;25.51,3.14,;27.05,3.13,;23.19,1.81,;23.96,.47,;23.18,-.86,;21.63,-.85,;20.87,.49,;21.65,1.82,;18.44,1.93,;18.9,.46,)| Show InChI InChI=1S/C16H12N4O3/c17-8-9-3-4-11(13-10(9)2-1-6-18-13)20-15(22)14-12(21)5-7-19(14)16(20)23/h1-4,6,12,21-22H,5,7H2/t12-/m1/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	n/a	n/a	6.20	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair