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SMILES: [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)NC)c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=NXVXNITYXISAKI-ZVPUSRDESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50122641   
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))
BDBM50122641
PNG
(CHEMBL3623120)
Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)NC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
Show InChI InChI=1S/C19H19F3N4O5S/c1-17-7-12(25-32(29,30)24-3)18(2,31-17)14-13(17)15(27)26(16(14)28)10-5-4-9(8-23)11(6-10)19(20,21)22/h4-6,12-14,24-25H,7H2,1-3H3/t12-,13-,14+,17+,18+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
50n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysis


ACS Med Chem Lett 6: 908-12 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3P96
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50122641
PNG
(CHEMBL3623120)
Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)NC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
Show InChI InChI=1S/C19H19F3N4O5S/c1-17-7-12(25-32(29,30)24-3)18(2,31-17)14-13(17)15(27)26(16(14)28)10-5-4-9(8-23)11(6-10)19(20,21)22/h4-6,12-14,24-25H,7H2,1-3H3/t12-,13-,14+,17+,18+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 34n/an/an/an/an/an/a



Bristol Myers-Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of DHT-induced PSA expression by alkaline phosphatase repor...


ACS Med Chem Lett 6: 908-12 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3P96
More data for this
Ligand-Target Pair