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SMILES: C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=ILDPQODVCNSRGJ-ZRZAMGCNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50323033   
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))
BDBM50323033
PNG
(4-[(1S,2S,6R,7R)-9-(4-Fluoro-benzenesulfonyl)-1,7-...)
Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H19F4N3O5S/c1-22-11-30(37(34,35)16-7-4-14(25)5-8-16)12-23(2,36-22)19-18(22)20(32)31(21(19)33)15-6-3-13(10-29)17(9-15)24(26,27)28/h3-9,32-33H,11-12H2,1-2H3/t22-,23+
PDB
MMDB

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Article
PubMed
32n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from AR in human MDA-MB-453 cells


Bioorg Med Chem Lett 20: 4491-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50323033
PNG
(4-[(1S,2S,6R,7R)-9-(4-Fluoro-benzenesulfonyl)-1,7-...)
Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H19F4N3O5S/c1-22-11-30(37(34,35)16-7-4-14(25)5-8-16)12-23(2,36-22)19-18(22)20(32)31(21(19)33)15-6-3-13(10-29)17(9-15)24(26,27)28/h3-9,32-33H,11-12H2,1-2H3/t22-,23+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay


Bioorg Med Chem Lett 20: 4491-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50323033
PNG
(4-[(1S,2S,6R,7R)-9-(4-Fluoro-benzenesulfonyl)-1,7-...)
Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H19F4N3O5S/c1-22-11-30(37(34,35)16-7-4-14(25)5-8-16)12-23(2,36-22)19-18(22)20(32)31(21(19)33)15-6-3-13(10-29)17(9-15)24(26,27)28/h3-9,32-33H,11-12H2,1-2H3/t22-,23+
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
n/an/a 685n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at wild type human AR expressed in human LNCAP cells by transactivation assay


Bioorg Med Chem Lett 20: 4491-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.034
BindingDB Entry DOI: 10.7270/Q2MK6DVH
More data for this
Ligand-Target Pair