BindingDB logo
myBDB logout

BDBM50230182 CHEMBL4069517

SMILES: Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(Br)cc(c2)C(F)(F)F)cc1

InChI Key: InChIKey=XLBQFFPUVVTFGK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50230182   
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
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50230182
PNG
(CHEMBL4069517)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(Br)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H15BrF3N5S/c23-16-8-15(22(24,25)26)9-18(10-16)30-21(32)29-17-5-3-12(4-6-17)13-1-2-14-11-28-20(27)31-19(14)7-13/h1-11H,(H2,27,28,31)(H2,29,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 0.270n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50230182
PNG
(CHEMBL4069517)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(Br)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H15BrF3N5S/c23-16-8-15(22(24,25)26)9-18(10-16)30-21(32)29-17-5-3-12(4-6-17)13-1-2-14-11-28-20(27)31-19(14)7-13/h1-11H,(H2,27,28,31)(H2,29,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50230182
PNG
(CHEMBL4069517)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(Br)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H15BrF3N5S/c23-16-8-15(22(24,25)26)9-18(10-16)30-21(32)29-17-5-3-12(4-6-17)13-1-2-14-11-28-20(27)31-19(14)7-13/h1-11H,(H2,27,28,31)(H2,29,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.10n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair