BindingDB logo
myBDB logout

BDBM50237567 CHEMBL4092491

SMILES: CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1

InChI Key: InChIKey=JBOWGDDXNMVXGT-HXUWFJFHSA-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 = 50237567   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237567
PNG
(CHEMBL4092491)
Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r|
Show InChI InChI=1S/C25H28F3N5O3/c1-14(2)20(33-23(35)36-24(3,4)5)22(34)32-17-9-10-19-18(12-17)21(30-13-29-19)31-16-8-6-7-15(11-16)25(26,27)28/h6-14,20H,1-5H3,(H,32,34)(H,33,35)(H,29,30,31)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay


Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
BindingDB Entry DOI: 10.7270/Q21Z46PJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50237567
PNG
(CHEMBL4092491)
Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r|
Show InChI InChI=1S/C25H28F3N5O3/c1-14(2)20(33-23(35)36-24(3,4)5)22(34)32-17-9-10-19-18(12-17)21(30-13-29-19)31-16-8-6-7-15(11-16)25(26,27)28/h6-14,20H,1-5H3,(H,32,34)(H,33,35)(H,29,30,31)/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay


Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
BindingDB Entry DOI: 10.7270/Q21Z46PJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50237567
PNG
(CHEMBL4092491)
Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r|
Show InChI InChI=1S/C25H28F3N5O3/c1-14(2)20(33-23(35)36-24(3,4)5)22(34)32-17-9-10-19-18(12-17)21(30-13-29-19)31-16-8-6-7-15(11-16)25(26,27)28/h6-14,20H,1-5H3,(H,32,34)(H,33,35)(H,29,30,31)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) measured after 40 mins by Kinase Glo luminescence assay


Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
BindingDB Entry DOI: 10.7270/Q21Z46PJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50237567
PNG
(CHEMBL4092491)
Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r|
Show InChI InChI=1S/C25H28F3N5O3/c1-14(2)20(33-23(35)36-24(3,4)5)22(34)32-17-9-10-19-18(12-17)21(30-13-29-19)31-16-8-6-7-15(11-16)25(26,27)28/h6-14,20H,1-5H3,(H,32,34)(H,33,35)(H,29,30,31)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) measured after 40 mins by Kinase Glo luminescence assay


Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
BindingDB Entry DOI: 10.7270/Q21Z46PJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50237567
PNG
(CHEMBL4092491)
Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r|
Show InChI InChI=1S/C25H28F3N5O3/c1-14(2)20(33-23(35)36-24(3,4)5)22(34)32-17-9-10-19-18(12-17)21(30-13-29-19)31-16-8-6-7-15(11-16)25(26,27)28/h6-14,20H,1-5H3,(H,32,34)(H,33,35)(H,29,30,31)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of RAF (unknown origin) measured after 40 mins by Kinase Glo luminescence assay


Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
BindingDB Entry DOI: 10.7270/Q21Z46PJ
More data for this
Ligand-Target Pair