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SMILES: C[C@@H](n1ccc2c(c(ccc12)C#N)C(F)(F)F)C(C)(C)O

InChI Key: InChIKey=RRWMFEXUNNLRMV-SECBINFHSA-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 2 hits for monomerid = 332404   
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))
BDBM332404
PNG
(US10196353, Example 22 | US11299457, Example 22)
Show SMILES C[C@@H](n1ccc2c(c(ccc12)C#N)C(F)(F)F)C(C)(C)O |r|
Show InChI InChI=1S/C15H15F3N2O/c1-9(14(2,3)21)20-7-6-11-12(20)5-4-10(8-19)13(11)15(16,17)18/h4-7,9,21H,1-3H3/t9-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 158n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM332404
PNG
(US10196353, Example 22 | US11299457, Example 22)
Show SMILES C[C@@H](n1ccc2c(c(ccc12)C#N)C(F)(F)F)C(C)(C)O |r|
Show InChI InChI=1S/C15H15F3N2O/c1-9(14(2,3)21)20-7-6-11-12(20)5-4-10(8-19)13(11)15(16,17)18/h4-7,9,21H,1-3H3/t9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No 2) Limited

US Patent


Assay Description
Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 μL. DTT and DMSO are added to the chilled assay buffer just...


US Patent US10196353 (2019)


BindingDB Entry DOI: 10.7270/Q2R213G1
More data for this
Ligand-Target Pair