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BDBM236644 US9388139, 13

SMILES: CC(C)(C)C1=NN(C(C1)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=IZCUZELGZSQULX-UHFFFAOYNA-N

Data: 3 IC50

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 = 236644   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM236644
PNG
(US9388139, 13)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1/C20H20Cl2N2O2/c1-20(2,3)18-11-17(13-6-9-15(21)16(22)10-13)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



German University

US Patent


Assay Description
PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...


US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM236644
PNG
(US9388139, 13)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1/C20H20Cl2N2O2/c1-20(2,3)18-11-17(13-6-9-15(21)16(22)10-13)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



German University

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25 C. for 5 min by absorbance at 590 nm as ...


US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM236644
PNG
(US9388139, 13)
Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1/C20H20Cl2N2O2/c1-20(2,3)18-11-17(13-6-9-15(21)16(22)10-13)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



German University

US Patent


Assay Description
The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25 C. for 5 min by absorbance at 590 nm as ...


US Patent US9388139 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0SFS
More data for this
Ligand-Target Pair