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BDBM333665 1-(3- isopropylisoxazol- 5-yl)- 3-(3-(6-methoxy- 7-(2- methoxyethoxy) quinazolin-4- yloxy)phenyl) urea::US9730937, Example 215

SMILES: COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)C)c3)c2cc1OC

InChI Key: InChIKey=UZNPYWOLJRVART-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 = 333665   
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))
BDBM333665
PNG
(1-(3- isopropylisoxazol- 5-yl)- 3-(3-(6-methoxy- 7...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C25H27N5O6/c1-15(2)19-13-23(36-30-19)29-25(31)28-16-6-5-7-17(10-16)35-24-18-11-21(33-4)22(34-9-8-32-3)12-20(18)26-14-27-24/h5-7,10-15H,8-9H2,1-4H3,(H2,28,29,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a<250n/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))
BDBM333665
PNG
(1-(3- isopropylisoxazol- 5-yl)- 3-(3-(6-methoxy- 7...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C25H27N5O6/c1-15(2)19-13-23(36-30-19)29-25(31)28-16-6-5-7-17(10-16)35-24-18-11-21(33-4)22(34-9-8-32-3)12-20(18)26-14-27-24/h5-7,10-15H,8-9H2,1-4H3,(H2,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM333665
PNG
(1-(3- isopropylisoxazol- 5-yl)- 3-(3-(6-methoxy- 7...)
Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)C)c3)c2cc1OC
Show InChI InChI=1S/C25H27N5O6/c1-15(2)19-13-23(36-30-19)29-25(31)28-16-6-5-7-17(10-16)35-24-18-11-21(33-4)22(34-9-8-32-3)12-20(18)26-14-27-24/h5-7,10-15H,8-9H2,1-4H3,(H2,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 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