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BDBM333714 1-(3-(6- hydroxy-7- methoxy- quinazolin- 4- yloxy)phenyl)- 3-(5- (1,1,1- trifluoro-2- methylpropan-2- yl)isoxazol-3-yl) urea::US9730937, Example 264

SMILES: COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1O

InChI Key: InChIKey=DNZUDONYKWTOIF-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 = 333714   
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))
BDBM333714
PNG
(1-(3-(6- hydroxy-7- methoxy- quinazolin- 4- yloxy)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1O
Show InChI InChI=1S/C23H20F3N5O5/c1-22(2,23(24,25)26)18-10-19(31-36-18)30-21(33)29-12-5-4-6-13(7-12)35-20-14-8-16(32)17(34-3)9-15(14)27-11-28-20/h4-11,32H,1-3H3,(H2,29,30,31,33)
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))
BDBM333714
PNG
(1-(3-(6- hydroxy-7- methoxy- quinazolin- 4- yloxy)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1O
Show InChI InChI=1S/C23H20F3N5O5/c1-22(2,23(24,25)26)18-10-19(31-36-18)30-21(33)29-12-5-4-6-13(7-12)35-20-14-8-16(32)17(34-3)9-15(14)27-11-28-20/h4-11,32H,1-3H3,(H2,29,30,31,33)
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))
BDBM333714
PNG
(1-(3-(6- hydroxy-7- methoxy- quinazolin- 4- yloxy)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1O
Show InChI InChI=1S/C23H20F3N5O5/c1-22(2,23(24,25)26)18-10-19(31-36-18)30-21(33)29-12-5-4-6-13(7-12)35-20-14-8-16(32)17(34-3)9-15(14)27-11-28-20/h4-11,32H,1-3H3,(H2,29,30,31,33)
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