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BDBM50264389 6-chloro-N-(pyrimidin-5-yl)-3-(3-(trifluoromethyl)phenylamino)benzo[d]isoxazole-7-carboxamide::6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide::CHEMBL491429

SMILES: FC(F)(F)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1

InChI Key: InChIKey=FEGRQUWSKADGSP-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50264389   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50264389
PNG
(6-chloro-N-(pyrimidin-5-yl)-3-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1
Show InChI InChI=1S/C19H11ClF3N5O2/c20-14-5-4-13-16(15(14)18(29)27-12-7-24-9-25-8-12)30-28-17(13)26-11-3-1-2-10(6-11)19(21,22)23/h1-9H,(H,26,28)(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-kit (unknown origin)


Bioorg Med Chem Lett 18: 5115-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.111
BindingDB Entry DOI: 10.7270/Q2B56JJH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50264389
PNG
(6-chloro-N-(pyrimidin-5-yl)-3-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1
Show InChI InChI=1S/C19H11ClF3N5O2/c20-14-5-4-13-16(15(14)18(29)27-12-7-24-9-25-8-12)30-28-17(13)26-11-3-1-2-10(6-11)19(21,22)23/h1-9H,(H,26,28)(H,27,29)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin)


Bioorg Med Chem Lett 18: 5115-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.111
BindingDB Entry DOI: 10.7270/Q2B56JJH
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50264389
PNG
(6-chloro-N-(pyrimidin-5-yl)-3-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1
Show InChI InChI=1S/C19H11ClF3N5O2/c20-14-5-4-13-16(15(14)18(29)27-12-7-24-9-25-8-12)30-28-17(13)26-11-3-1-2-10(6-11)19(21,22)23/h1-9H,(H,26,28)(H,27,29)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of cFMS (unknown origin)


Bioorg Med Chem Lett 18: 5115-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.111
BindingDB Entry DOI: 10.7270/Q2B56JJH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50264389
PNG
(6-chloro-N-(pyrimidin-5-yl)-3-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1
Show InChI InChI=1S/C19H11ClF3N5O2/c20-14-5-4-13-16(15(14)18(29)27-12-7-24-9-25-8-12)30-28-17(13)26-11-3-1-2-10(6-11)19(21,22)23/h1-9H,(H,26,28)(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck (unknown origin)


Bioorg Med Chem Lett 18: 5115-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.111
BindingDB Entry DOI: 10.7270/Q2B56JJH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50264389
PNG
(6-chloro-N-(pyrimidin-5-yl)-3-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1
Show InChI InChI=1S/C19H11ClF3N5O2/c20-14-5-4-13-16(15(14)18(29)27-12-7-24-9-25-8-12)30-28-17(13)26-11-3-1-2-10(6-11)19(21,22)23/h1-9H,(H,26,28)(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 117n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin)


Bioorg Med Chem Lett 18: 5115-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.111
BindingDB Entry DOI: 10.7270/Q2B56JJH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50264389
PNG
(6-chloro-N-(pyrimidin-5-yl)-3-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1
Show InChI InChI=1S/C19H11ClF3N5O2/c20-14-5-4-13-16(15(14)18(29)27-12-7-24-9-25-8-12)30-28-17(13)26-11-3-1-2-10(6-11)19(21,22)23/h1-9H,(H,26,28)(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 353n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


Bioorg Med Chem Lett 18: 5115-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.111
BindingDB Entry DOI: 10.7270/Q2B56JJH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50264389
PNG
(6-chloro-N-(pyrimidin-5-yl)-3-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1
Show InChI InChI=1S/C19H11ClF3N5O2/c20-14-5-4-13-16(15(14)18(29)27-12-7-24-9-25-8-12)30-28-17(13)26-11-3-1-2-10(6-11)19(21,22)23/h1-9H,(H,26,28)(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 18: 5115-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.111
BindingDB Entry DOI: 10.7270/Q2B56JJH
More data for this
Ligand-Target Pair