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SMILES: Cc1ccc(o1)C1OCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1

InChI Key: InChIKey=BPLPHDCYSOFWAG-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 = 221978   
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
Cystic fibrosis transmembrane conductance regulator


(Cricetulus griseus (Chinese hamster))
BDBM221978
PNG
(US9303035, 4.1 | US9303035, 4.3)
Show SMILES Cc1ccc(o1)C1OCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C22H21N3O4/c1-13-9-10-15(29-13)20-19-18-16(21(26)24(3)22(27)23(18)2)17(25(19)11-12-28-20)14-7-5-4-6-8-14/h4-10,20H,11-12H2,1-3H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.16n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Cricetulus griseus (Chinese hamster))
BDBM221978
PNG
(US9303035, 4.1 | US9303035, 4.3)
Show SMILES Cc1ccc(o1)C1OCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C22H21N3O4/c1-13-9-10-15(29-13)20-19-18-16(21(26)24(3)22(27)23(18)2)17(25(19)11-12-28-20)14-7-5-4-6-8-14/h4-10,20H,11-12H2,1-3H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.23n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair