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BDBM322528 5-[3-[4-(3-thienyl)-1H-imidazol-2-yl]chroman-6-yl]oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one::US10183939, Example 6

SMILES: O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccsc3)ccnc2N1

InChI Key: InChIKey=KLFTVUZHBYWQEN-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 322528   
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
B-Raf (V600E)


(Homo sapiens (Human))
BDBM322528
PNG
(5-[3-[4-(3-thienyl)-1H-imidazol-2-yl]chroman-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccsc3)ccnc2N1
Show InChI InChI=1S/C24H20N4O3S/c29-22-4-2-18-21(5-7-25-24(18)28-22)31-17-1-3-20-15(10-17)9-16(12-30-20)23-26-11-19(27-23)14-6-8-32-13-14/h1,3,5-8,10-11,13,16H,2,4,9,12H2,(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


Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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


(Homo sapiens (Human))
BDBM322528
PNG
(5-[3-[4-(3-thienyl)-1H-imidazol-2-yl]chroman-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccsc3)ccnc2N1
Show InChI InChI=1S/C24H20N4O3S/c29-22-4-2-18-21(5-7-25-24(18)28-22)31-17-1-3-20-15(10-17)9-16(12-30-20)23-26-11-19(27-23)14-6-8-32-13-14/h1,3,5-8,10-11,13,16H,2,4,9,12H2,(H,26,27)(H,25,28,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Redx Pharma PLC

US Patent




US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM322528
PNG
(5-[3-[4-(3-thienyl)-1H-imidazol-2-yl]chroman-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccsc3)ccnc2N1
Show InChI InChI=1S/C24H20N4O3S/c29-22-4-2-18-21(5-7-25-24(18)28-22)31-17-1-3-20-15(10-17)9-16(12-30-20)23-26-11-19(27-23)14-6-8-32-13-14/h1,3,5-8,10-11,13,16H,2,4,9,12H2,(H,26,27)(H,25,28,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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


(Homo sapiens (Human))
BDBM322528
PNG
(5-[3-[4-(3-thienyl)-1H-imidazol-2-yl]chroman-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccsc3)ccnc2N1
Show InChI InChI=1S/C24H20N4O3S/c29-22-4-2-18-21(5-7-25-24(18)28-22)31-17-1-3-20-15(10-17)9-16(12-30-20)23-26-11-19(27-23)14-6-8-32-13-14/h1,3,5-8,10-11,13,16H,2,4,9,12H2,(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