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BDBM94706 MLS000830253::SMR000034292::cid_658947

SMILES: COC(=O)CSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3c4CCCCCc4sc3n12

InChI Key: InChIKey=WAGKDZAKZRWBPJ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 94706   
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
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94706
PNG
(MLS000830253 | SMR000034292 | cid_658947)
Show SMILES COC(=O)CSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3c4CCCCCc4sc3n12
Show InChI InChI=1S/C22H22N4O4S2/c1-29-14-10-8-13(9-11-14)25-19(28)18-15-6-4-3-5-7-16(15)32-20(18)26-21(25)23-24-22(26)31-12-17(27)30-2/h8-11H,3-7,12H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.81E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N82
More data for this
Ligand-Target Pair