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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cyclic AMP receptor protein'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cyclic AMP receptor protein


(Vibrio cholerae O1 biovar El Tor str. N16961)
BDBM96550
PNG
(MLS000325579 | N-(2,4-difluorophenyl)-3-[[3-(trifl...)
Show SMILES Fc1ccc(NC(=O)c2sccc2SCc2cccc(c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C19H12F5NOS2/c20-13-4-5-15(14(21)9-13)25-18(26)17-16(6-7-27-17)28-10-11-2-1-3-12(8-11)19(22,23)24/h1-9H,10H2,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 7.79E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
cyclic AMP receptor protein


(Vibrio cholerae O1 biovar El Tor str. N16961)
BDBM10851
PNG
((4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 1.30E+5n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair