BDBM50215716 2-chloro-4-((3aS,4R)-4-hydroxy-3a-methyl-1,1,3-trioxo-tetrahydro-1lambda6-thia-2,6a-diaza-pentalen-2-yl)-3-methyl-benzonitrile::CHEMBL391768

SMILES: Cc1c(Cl)c(ccc1N1C(=O)[C@]2(C)[C@H](O)CCN2S1(=O)=O)C#N

InChI Key: InChIKey=PWIDXUOBBNJXQW-RISCZKNCSA-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 = 50215716   

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))	BDBM50215716 (2-chloro-4-((3aS,4R)-4-hydroxy-3a-methyl-1,1,3-tri...) Show SMILES Cc1c(Cl)c(ccc1N1C(=O)[C@]2(C)[C@H](O)CCN2S1(=O)=O)C#N Show InChI InChI=1S/C14H14ClN3O4S/c1-8-10(4-3-9(7-16)12(8)15)18-13(20)14(2)11(19)5-6-17(14)23(18,21)22/h3-4,11,19H,5-6H2,1-2H3/t11-,14+/m1/s1	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	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen Receptor (Mus musculus)	BDBM50215716 (2-chloro-4-((3aS,4R)-4-hydroxy-3a-methyl-1,1,3-tri...) Show SMILES Cc1c(Cl)c(ccc1N1C(=O)[C@]2(C)[C@H](O)CCN2S1(=O)=O)C#N Show InChI InChI=1S/C14H14ClN3O4S/c1-8-10(4-3-9(7-16)12(8)15)18-13(20)14(2)11(19)5-6-17(14)23(18,21)22/h3-4,11,19H,5-6H2,1-2H3/t11-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair