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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)
LigandTarget/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
pHTemp
°C
Androgen Receptor


(Homo sapiens (Human))
BDBM50215716
PNG
(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

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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
8.20n/an/an/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/an/an/a 1.25E+3n/an/an/an/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