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BDBM50230174 CHEMBL4085495

SMILES: Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)cc(c4)C(F)(F)F)c3)c12

InChI Key: InChIKey=FOEQINTXCQEBGE-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 = 50230174   
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))
BDBM50230174
PNG
(CHEMBL4085495)
Show SMILES Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)cc(c4)C(F)(F)F)c3)c12
Show InChI InChI=1S/C25H19BrF3N5O2/c26-15-10-14(25(27,28)29)11-17(12-15)32-23(36)24(7-8-24)22(35)31-16-4-1-3-13(9-16)18-5-2-6-19-20(18)21(30)34-33-19/h1-6,9-12H,7-8H2,(H,31,35)(H,32,36)(H3,30,33,34)
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MMDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 613n/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))
BDBM50230174
PNG
(CHEMBL4085495)
Show SMILES Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)cc(c4)C(F)(F)F)c3)c12
Show InChI InChI=1S/C25H19BrF3N5O2/c26-15-10-14(25(27,28)29)11-17(12-15)32-23(36)24(7-8-24)22(35)31-16-4-1-3-13(9-16)18-5-2-6-19-20(18)21(30)34-33-19/h1-6,9-12H,7-8H2,(H,31,35)(H,32,36)(H3,30,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2n/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))
BDBM50230174
PNG
(CHEMBL4085495)
Show SMILES Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)cc(c4)C(F)(F)F)c3)c12
Show InChI InChI=1S/C25H19BrF3N5O2/c26-15-10-14(25(27,28)29)11-17(12-15)32-23(36)24(7-8-24)22(35)31-16-4-1-3-13(9-16)18-5-2-6-19-20(18)21(30)34-33-19/h1-6,9-12H,7-8H2,(H,31,35)(H,32,36)(H3,30,33,34)
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>1.00E+3n/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