BDBM333504 1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6,7- dimethoxy- quinazolin- 4-ylthio)phenyl) urea::US9730937, Example 46

SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC

InChI Key InChIKey=FFLVHWGDEYLFKE-UHFFFAOYSA-N

Data  1 IC50  4 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 5 hits for monomerid = 333504   

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

Curated by ChEMBL
LigandPNGBDBM333504(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6,7- dimeth...)
Affinity DataKd:  61nMAssay Description:Binding affinity to BRAF V600E mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM333504(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6,7- dimeth...)
Affinity DataIC50: 118nMAssay Description:Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase B-raf [V600E](Human)
Ambit Biosciences

US Patent
LigandPNGBDBM333504(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6,7- dimeth...)
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
LigandPNGBDBM333504(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6,7- dimeth...)
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

Curated by ChEMBL
LigandPNGBDBM333504(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6,7- dimeth...)
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