BDBM50205106 4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrrolo[1,2-e]imidazol-2(3H)-yl)-2-methoxybenzonitrile::CHEMBL439873

SMILES: COc1cc(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O

InChI Key: InChIKey=CSXUSOYIXWMSJQ-SNVBAGLBSA-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 = 50205106   

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))	BDBM50205106 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES COc1cc(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O Show InChI InChI=1S/C14H13N3O4/c1-21-11-6-9(3-2-8(11)7-15)17-13(19)12-10(18)4-5-16(12)14(17)20/h2-3,6,10,18-19H,4-5H2,1H3/t10-/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	24	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))	BDBM50205106 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES COc1cc(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O Show InChI InChI=1S/C14H13N3O4/c1-21-11-6-9(3-2-8(11)7-15)17-13(19)12-10(18)4-5-16(12)14(17)20/h2-3,6,10,18-19H,4-5H2,1H3/t10-/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	98	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