BindingDB logo
myBDB logout

BDBM50192705 1-(2-fluoro-5-methylphenyl)-3-{19-methyl-14-oxo-3-propyl-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-7-yl}urea::CHEMBL218252

SMILES: CCCn1c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12

InChI Key: InChIKey=LHKZHHCURPMTGS-UHFFFAOYSA-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 = 50192705   
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))
BDBM50192705
PNG
(1-(2-fluoro-5-methylphenyl)-3-{19-methyl-14-oxo-3-...)
Show SMILES CCCn1c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C31H29FN6O2/c1-4-11-38-25-10-6-17(34-31(40)35-24-12-16(2)5-8-22(24)32)13-19(25)27-20-14-33-30(39)28(20)26-18(29(27)38)7-9-23-21(26)15-37(3)36-23/h5-6,8,10,12-13,15H,4,7,9,11,14H2,1-3H3,(H,33,39)(H2,34,35,40)
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 29n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 5368-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.066
BindingDB Entry DOI: 10.7270/Q2SQ901V
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50192705
PNG
(1-(2-fluoro-5-methylphenyl)-3-{19-methyl-14-oxo-3-...)
Show SMILES CCCn1c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C31H29FN6O2/c1-4-11-38-25-10-6-17(34-31(40)35-24-12-16(2)5-8-22(24)32)13-19(25)27-20-14-33-30(39)28(20)26-18(29(27)38)7-9-23-21(26)15-37(3)36-23/h5-6,8,10,12-13,15H,4,7,9,11,14H2,1-3H3,(H,33,39)(H2,34,35,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 16: 5368-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.066
BindingDB Entry DOI: 10.7270/Q2SQ901V
More data for this
Ligand-Target Pair