BDBM333581 1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)- 3-(3- (2- methoxyethoxy)- 5- (trifluoromethyl) phenyl) urea::US9730937, Example 129

SMILES COCCOc1cc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F

InChI Key InChIKey=XBKGJEBCNAJBFT-UHFFFAOYSA-N

Data  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 333581   

TargetSerine/threonine-protein kinase B-raf [V600E](Human)
Ambit Biosciences

US Patent
LigandPNGBDBM333581(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Affinity DataKd:  375nMAssay Description:Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase B-raf(Human)
Ambit Biosciences

US Patent
LigandPNGBDBM333581(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Affinity DataKd: >1.00E+3nMAssay Description:Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetRAF proto-oncogene serine/threonine-protein kinase(Human)
Ambit Biosciences

US Patent
LigandPNGBDBM333581(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Affinity DataKd:  375nMAssay Description:Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent