BindingDB logo
myBDB logout

BDBM50389978 CHEMBL2071205

SMILES: Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@H](C[C@@H]3C(N)=O)C4(C)C)n2)C(F)(F)F)cn1

InChI Key: InChIKey=YLJVNDQEACKRKQ-HVTMNAMFSA-N

Data: 2 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 2 hits for monomerid = 50389978   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50389978
PNG
(CHEMBL2071205)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@H](C[C@@H]3C(N)=O)C4(C)C)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C19H24F3N7O/c1-18(2)9-4-11(15(23)30)14(12(18)5-9)27-16-13(19(20,21)22)7-24-17(28-16)26-10-6-25-29(3)8-10/h6-9,11-12,14H,4-5H2,1-3H3,(H2,23,30)(H2,24,26,27,28)/t9-,11-,12-,14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 264n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389978
PNG
(CHEMBL2071205)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@H](C[C@@H]3C(N)=O)C4(C)C)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C19H24F3N7O/c1-18(2)9-4-11(15(23)30)14(12(18)5-9)27-16-13(19(20,21)22)7-24-17(28-16)26-10-6-25-29(3)8-10/h6-9,11-12,14H,4-5H2,1-3H3,(H2,23,30)(H2,24,26,27,28)/t9-,11-,12-,14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair