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BDBM333569 1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)- 3-(3- methoxy-5- (trifluoromethyl) phenyl) urea::US9730937, Example 116

SMILES: COc1cc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F

InChI Key: InChIKey=LBRAOCKTEFVDTO-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 = 333569   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(Homo sapiens (Human))
BDBM333569
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O5/c1-34-18-8-14(25(26,27)28)7-16(10-18)32-24(33)31-15-5-4-6-17(9-15)37-23-19-11-21(35-2)22(36-3)12-20(19)29-13-30-23/h4-13H,1-3H3,(H2,31,32,33)
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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333569
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O5/c1-34-18-8-14(25(26,27)28)7-16(10-18)32-24(33)31-15-5-4-6-17(9-15)37-23-19-11-21(35-2)22(36-3)12-20(19)29-13-30-23/h4-13H,1-3H3,(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM333569
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O5/c1-34-18-8-14(25(26,27)28)7-16(10-18)32-24(33)31-15-5-4-6-17(9-15)37-23-19-11-21(35-2)22(36-3)12-20(19)29-13-30-23/h4-13H,1-3H3,(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair