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SMILES: C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=XQVIEWAJAYEUKX-NRFANRHFSA-N

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 5 hits for monomerid = 468329   
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))
BDBM468329
PNG
(US10806720, Compound 1010 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H17F4N3O2/c1-21(31,13-29-9-8-16(12-29)14-2-5-17(23)6-3-14)20(30)28-18-7-4-15(11-27)19(10-18)22(24,25)26/h2-10,12,31H,13H2,1H3,(H,28,30)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
259n/an/an/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair
Androgen receptor [633-919]


(Homo sapiens (Human))
BDBM468329
PNG
(US10806720, Compound 1010 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H17F4N3O2/c1-21(31,13-29-9-8-16(12-29)14-2-5-17(23)6-3-14)20(30)28-18-7-4-15(11-27)19(10-18)22(24,25)26/h2-10,12,31H,13H2,1H3,(H,28,30)/t21-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
259n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM468329
PNG
(US10806720, Compound 1010 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H17F4N3O2/c1-21(31,13-29-9-8-16(12-29)14-2-5-17(23)6-3-14)20(30)28-18-7-4-15(11-27)19(10-18)22(24,25)26/h2-10,12,31H,13H2,1H3,(H,28,30)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
259n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM468329
PNG
(US10806720, Compound 1010 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H17F4N3O2/c1-21(31,13-29-9-8-16(12-29)14-2-5-17(23)6-3-14)20(30)28-18-7-4-15(11-27)19(10-18)22(24,25)26/h2-10,12,31H,13H2,1H3,(H,28,30)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 226n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM468329
PNG
(US10806720, Compound 1010 | US11230523, Compound 1...)
Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H17F4N3O2/c1-21(31,13-29-9-8-16(12-29)14-2-5-17(23)6-3-14)20(30)28-18-7-4-15(11-27)19(10-18)22(24,25)26/h2-10,12,31H,13H2,1H3,(H,28,30)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 226n/an/an/an/an/an/a



University of Tennessee Research Foundation

US Patent


Assay Description
Methods: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD w...


US Patent US10806720 (2020)

More data for this
Ligand-Target Pair