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BDBM333575 1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)- 3-(3- (tetrahydro- 2H-pyran-4- yl(isoxazol- 5-yl)urea::US9730937, Example 123

SMILES: COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C4CCOCC4)c3)c2cc1OC

InChI Key: InChIKey=KERNNVYSFHAMPF-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 = 333575   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(Homo sapiens (Human))
BDBM333575
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C4CCOCC4)c3)c2cc1OC
Show InChI InChI=1S/C25H25N5O6/c1-32-21-11-18-20(12-22(21)33-2)26-14-27-24(18)35-17-5-3-4-16(10-17)28-25(31)29-23-13-19(30-36-23)15-6-8-34-9-7-15/h3-5,10-15H,6-9H2,1-2H3,(H2,28,29,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 375n/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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333575
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C4CCOCC4)c3)c2cc1OC
Show InChI InChI=1S/C25H25N5O6/c1-32-21-11-18-20(12-22(21)33-2)26-14-27-24(18)35-17-5-3-4-16(10-17)28-25(31)29-23-13-19(30-36-23)15-6-8-34-9-7-15/h3-5,10-15H,6-9H2,1-2H3,(H2,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 750n/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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM333575
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C4CCOCC4)c3)c2cc1OC
Show InChI InChI=1S/C25H25N5O6/c1-32-21-11-18-20(12-22(21)33-2)26-14-27-24(18)35-17-5-3-4-16(10-17)28-25(31)29-23-13-19(30-36-23)15-6-8-34-9-7-15/h3-5,10-15H,6-9H2,1-2H3,(H2,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a>1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair