BDBM333501 1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-(2- methoxy- quinazolin- 4- yloxy)phenyl) urea::US9730937, Example 43

SMILES COCCOc1ccc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2c1

InChI Key InChIKey=ROHKZELAPHREBQ-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 = 333501   

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

US Patent
LigandPNGBDBM333501(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-(2- metho...)
Affinity DataKd: <250nMAssay 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
US Patent

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

US Patent
LigandPNGBDBM333501(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-(2- metho...)
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
US Patent

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

US Patent
LigandPNGBDBM333501(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-(2- metho...)
Affinity DataKd:  750nMAssay 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
US Patent