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SMILES: FC(F)(F)Oc1ccc(Cl)c(c1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1

InChI Key: InChIKey=XOVJWWGPMBQSLT-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 3 hits for monomerid = 443352   
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
OTU domain-containing protein 7B


(Human)
BDBM443352
PNG
(6'-(2-Chloro-5- (trifluoromethoxy)phenyl)-2'-oxo-1...)
Show SMILES FC(F)(F)Oc1ccc(Cl)c(c1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C20H15ClF3N3O2/c21-16-3-2-14(29-20(22,23)24)8-15(16)12-1-4-17-13(7-12)9-19(18(28)26-17)5-6-27(10-19)11-25/h1-4,7-8H,5-6,9-10H2,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443352
PNG
(6'-(2-Chloro-5- (trifluoromethoxy)phenyl)-2'-oxo-1...)
Show SMILES FC(F)(F)Oc1ccc(Cl)c(c1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C20H15ClF3N3O2/c21-16-3-2-14(29-20(22,23)24)8-15(16)12-1-4-17-13(7-12)9-19(18(28)26-17)5-6-27(10-19)11-25/h1-4,7-8H,5-6,9-10H2,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63QX
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443352
PNG
(6'-(2-Chloro-5- (trifluoromethoxy)phenyl)-2'-oxo-1...)
Show SMILES FC(F)(F)Oc1ccc(Cl)c(c1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C20H15ClF3N3O2/c21-16-3-2-14(29-20(22,23)24)8-15(16)12-1-4-17-13(7-12)9-19(18(28)26-17)5-6-27(10-19)11-25/h1-4,7-8H,5-6,9-10H2,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63QX
More data for this
Ligand-Target Pair