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BDBM200240 AB00980327-01::cid_3370791

SMILES: C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SC1CCOC1=O

InChI Key: InChIKey=RQODTOQPYWCBNJ-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 200240   
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


(Homo sapiens)
BDBM200240
PNG
(AB00980327-01 | cid_3370791)
Show SMILES C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SC1CCOC1=O
Show InChI InChI=1S/C22H21N3O3S/c1-2-13-25-20(23-24-22(25)29-19-12-14-27-21(19)26)15-28-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h2-11,19H,1,12-15H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a>4.90E+4n/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2CZ35ZF
More data for this
Ligand-Target Pair