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BDBM333543 1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-(2- methoxyethoxy) quinazolin-4- ylthio)phenyl) urea::US9730937, Example 87

SMILES: COCCOc1ccc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2c1

InChI Key: InChIKey=UQVMHEDMPMZXQZ-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 = 333543   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(Homo sapiens (Human))
BDBM333543
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-(2- metho...)
Show SMILES COCCOc1ccc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2c1
Show InChI InChI=1S/C25H27N5O4S/c1-25(2,3)21-14-22(30-34-21)29-24(31)28-16-6-5-7-18(12-16)35-23-19-13-17(33-11-10-32-4)8-9-20(19)26-15-27-23/h5-9,12-15H,10-11H2,1-4H3,(H2,28,29,30,31)
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)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333543
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-(2- metho...)
Show SMILES COCCOc1ccc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2c1
Show InChI InChI=1S/C25H27N5O4S/c1-25(2,3)21-14-22(30-34-21)29-24(31)28-16-6-5-7-18(12-16)35-23-19-13-17(33-11-10-32-4)8-9-20(19)26-15-27-23/h5-9,12-15H,10-11H2,1-4H3,(H2,28,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM333543
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-(2- metho...)
Show SMILES COCCOc1ccc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2c1
Show InChI InChI=1S/C25H27N5O4S/c1-25(2,3)21-14-22(30-34-21)29-24(31)28-16-6-5-7-18(12-16)35-23-19-13-17(33-11-10-32-4)8-9-20(19)26-15-27-23/h5-9,12-15H,10-11H2,1-4H3,(H2,28,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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)

More data for this
Ligand-Target Pair