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BDBM106561 US8586600, III-6

SMILES: CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F

InChI Key: InChIKey=WIVJEMFJDXIPRD-FNORWQNLSA-N

Data: 5 IC50

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 5 hits for monomerid = 106561   
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
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM106561
PNG
(US8586600, III-6)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-9-20(16-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)28(42)36-22-10-11-25(23(17-22)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.90n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., “Antiangiogen...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106561
PNG
(US8586600, III-6)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-9-20(16-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)28(42)36-22-10-11-25(23(17-22)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.99E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM106561
PNG
(US8586600, III-6)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-9-20(16-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)28(42)36-22-10-11-25(23(17-22)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.10E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may be screened for their ability to inhibit KDR using a standard coupled enzyme assay (Fox et al., Protein Sci., (1998) 7, 2249).


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106561
PNG
(US8586600, III-6)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-9-20(16-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)28(42)36-22-10-11-25(23(17-22)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.57E+3n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM106561
PNG
(US8586600, III-6)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F3N7O2/c1-19-8-9-20(16-26(19)39-29-35-14-12-24(38-29)21-6-4-13-34-18-21)28(42)36-22-10-11-25(23(17-22)30(31,32)33)37-27(41)7-5-15-40(2)3/h4-14,16-18H,15H2,1-3H3,(H,36,42)(H,37,41)(H,35,38,39)/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 216n/an/an/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/...


US Patent US8586600 (2013)


BindingDB Entry DOI: 10.7270/Q2M61HWH
More data for this
Ligand-Target Pair