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Compile Data Set for Download or QSAR

Found 4 hits of kd for monomerid = 333632   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM333632
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H19F3N4O4/c1-33-20-11-18-19(12-21(20)34-2)28-13-29-22(18)35-17-8-4-7-16(10-17)31-23(32)30-15-6-3-5-14(9-15)24(25,26)27/h3-13H,1-2H3,(H2,30,31,32)
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Article
PubMed
n/an/an/a 46n/an/an/an/an/a



Ambit Biosciences Corporation

Curated by ChEMBL


Assay Description
Binding affinity to BRAF V600E mutant


Bioorg Med Chem Lett 21: 5342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.019
BindingDB Entry DOI: 10.7270/Q24T6N6Z
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333632
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H19F3N4O4/c1-33-20-11-18-19(12-21(20)34-2)28-13-29-22(18)35-17-8-4-7-16(10-17)31-23(32)30-15-6-3-5-14(9-15)24(25,26)27/h3-13H,1-2H3,(H2,30,31,32)
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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)


BindingDB Entry DOI: 10.7270/Q2M32XVC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM333632
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H19F3N4O4/c1-33-20-11-18-19(12-21(20)34-2)28-13-29-22(18)35-17-8-4-7-16(10-17)31-23(32)30-15-6-3-5-14(9-15)24(25,26)27/h3-13H,1-2H3,(H2,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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)


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


(Homo sapiens (Human))
BDBM333632
PNG
(1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)...)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H19F3N4O4/c1-33-20-11-18-19(12-21(20)34-2)28-13-29-22(18)35-17-8-4-7-16(10-17)31-23(32)30-15-6-3-5-14(9-15)24(25,26)27/h3-13H,1-2H3,(H2,30,31,32)
PDB
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UniProtKB/SwissProt

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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)


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