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BDBM333728 1-(3-(2-cyano- propan- 2- yl)phenyl)-3- (3-(6,7- dimethoxy- quinazolin- 4-yloxy) phenyl)urea::US9730937, Example 278

SMILES: COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC

InChI Key: InChIKey=DKQSHNKXPOGZHL-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 = 333728   
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))
BDBM333728
PNG
(1-(3-(2-cyano- propan- 2- yl)phenyl)-3- (3-(6,7- d...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC
Show InChI InChI=1S/C27H25N5O4/c1-27(2,15-28)17-7-5-8-18(11-17)31-26(33)32-19-9-6-10-20(12-19)36-25-21-13-23(34-3)24(35-4)14-22(21)29-16-30-25/h5-14,16H,1-4H3,(H2,31,32,33)
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))
BDBM333728
PNG
(1-(3-(2-cyano- propan- 2- yl)phenyl)-3- (3-(6,7- d...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC
Show InChI InChI=1S/C27H25N5O4/c1-27(2,15-28)17-7-5-8-18(11-17)31-26(33)32-19-9-6-10-20(12-19)36-25-21-13-23(34-3)24(35-4)14-22(21)29-16-30-25/h5-14,16H,1-4H3,(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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 serine/threonine protein kinase


(Homo sapiens (Human))
BDBM333728
PNG
(1-(3-(2-cyano- propan- 2- yl)phenyl)-3- (3-(6,7- d...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(C)(C)C#N)c3)c2cc1OC
Show InChI InChI=1S/C27H25N5O4/c1-27(2,15-28)17-7-5-8-18(11-17)31-26(33)32-19-9-6-10-20(12-19)36-25-21-13-23(34-3)24(35-4)14-22(21)29-16-30-25/h5-14,16H,1-4H3,(H2,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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