BDBM333479 1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- 6-(3-(4- methyl- piperazin- 1- yl)propoxy) quinazolin-4- yloxy)phenyl) urea::US9730937, Example 21

SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCN(C)CC1

InChI Key InChIKey=RQLQZHCFXJKREU-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 = 333479   

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

US Patent
LigandPNGBDBM333479(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)
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
Go to US Patent

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

US Patent
LigandPNGBDBM333479(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)
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

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

US Patent
LigandPNGBDBM333479(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoxy- ...)
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