BindingDB logo
myBDB logout

null

SMILES: CCCc1cc2c(c(ccc2n1CC(C)(C)O)C#N)C(F)(F)F

InChI Key: InChIKey=UBRFDZVHGGUVEL-UHFFFAOYSA-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 = 332401   
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))
BDBM332401
PNG
(US10196353, Example 12 | US11299457, Example 12)
Show SMILES CCCc1cc2c(c(ccc2n1CC(C)(C)O)C#N)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-4-5-12-8-13-14(22(12)10-16(2,3)23)7-6-11(9-21)15(13)17(18,19)20/h6-8,23H,4-5,10H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 251n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM332401
PNG
(US10196353, Example 12 | US11299457, Example 12)
Show SMILES CCCc1cc2c(c(ccc2n1CC(C)(C)O)C#N)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-4-5-12-8-13-14(22(12)10-16(2,3)23)7-6-11(9-21)15(13)17(18,19)20/h6-8,23H,4-5,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 251n/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