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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-RAF (Y340D Y341D)' and Ligand = 'BDBM322529'   
Target/Host
(Institution)
LigandTarget/Host
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
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322529
PNG
(5-[3-[4-(2-thienyl)-1H-imidazol-2-yl]chroman-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3cccs3)ccnc2N1
Show InChI InChI=1S/C24H20N4O3S/c29-22-6-4-17-20(7-8-25-24(17)28-22)31-16-3-5-19-14(11-16)10-15(13-30-19)23-26-12-18(27-23)21-2-1-9-32-21/h1-3,5,7-9,11-12,15H,4,6,10,13H2,(H,26,27)(H,25,28,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



Redx Pharma PLC

US Patent




US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322529
PNG
(5-[3-[4-(2-thienyl)-1H-imidazol-2-yl]chroman-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3cccs3)ccnc2N1
Show InChI InChI=1S/C24H20N4O3S/c29-22-6-4-17-20(7-8-25-24(17)28-22)31-16-3-5-19-14(11-16)10-15(13-30-19)23-26-12-18(27-23)21-2-1-9-32-21/h1-3,5,7-9,11-12,15H,4,6,10,13H2,(H,26,27)(H,25,28,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<4n/an/an/an/an/an/a



Redx Pharma PLC

US Patent




US Patent US10183939 (2019)

More data for this
Ligand-Target Pair