BindingDB logo
myBDB logout

BDBM333718 1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl)- 3-(3- (1,1,1- trifluoro-2- methylpropan-2- yl)isoxazol-5-yl) urea::US9730937, Example 268

SMILES: COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C(F)(F)F)c3)c2cc1OC

InChI Key: InChIKey=AMYKJJAIUQOGAK-UHFFFAOYSA-N

Data: 3 Kd

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 3 hits for monomerid = 333718   
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))
BDBM333718
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O4S/c1-23(2,24(25,26)27)19-11-20(36-32-19)31-22(33)30-13-6-5-7-14(8-13)37-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333718
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O4S/c1-23(2,24(25,26)27)19-11-20(36-32-19)31-22(33)30-13-6-5-7-14(8-13)37-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM333718
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O4S/c1-23(2,24(25,26)27)19-11-20(36-32-19)31-22(33)30-13-6-5-7-14(8-13)37-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair