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BDBM50375676 CHEMBL272875

SMILES: CCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

InChI Key: InChIKey=ZKVQZKJTCLSERL-UHFFFAOYSA-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 = 50375676   
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))
BDBM50375676
PNG
(CHEMBL272875)
Show SMILES CCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C22H23N3O5/c1-4-23-22(26)25-9-10-29-19-11-14(5-6-17(19)25)30-18-7-8-24-16-13-21(28-3)20(27-2)12-15(16)18/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1695-705 (2008)


Article DOI: 10.1021/jm701129j
BindingDB Entry DOI: 10.7270/Q28K79ZW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50375676
PNG
(CHEMBL272875)
Show SMILES CCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C22H23N3O5/c1-4-23-22(26)25-9-10-29-19-11-14(5-6-17(19)25)30-18-7-8-24-16-13-21(28-3)20(27-2)12-15(16)18/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 51: 1695-705 (2008)


Article DOI: 10.1021/jm701129j
BindingDB Entry DOI: 10.7270/Q28K79ZW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375676
PNG
(CHEMBL272875)
Show SMILES CCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C22H23N3O5/c1-4-23-22(26)25-9-10-29-19-11-14(5-6-17(19)25)30-18-7-8-24-16-13-21(28-3)20(27-2)12-15(16)18/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,26)
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 1n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 after 60 mins


J Mol Graph Model 27: 642-54 (2008)


Article DOI: 10.1016/j.jmgm.2008.10.006
BindingDB Entry DOI: 10.7270/Q2C24XNX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50375676
PNG
(CHEMBL272875)
Show SMILES CCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C22H23N3O5/c1-4-23-22(26)25-9-10-29-19-11-14(5-6-17(19)25)30-18-7-8-24-16-13-21(28-3)20(27-2)12-15(16)18/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,26)
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 1.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met


J Med Chem 51: 1695-705 (2008)


Article DOI: 10.1021/jm701129j
BindingDB Entry DOI: 10.7270/Q28K79ZW
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50375676
PNG
(CHEMBL272875)
Show SMILES CCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
Show InChI InChI=1S/C22H23N3O5/c1-4-23-22(26)25-9-10-29-19-11-14(5-6-17(19)25)30-18-7-8-24-16-13-21(28-3)20(27-2)12-15(16)18/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>4.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 51: 1695-705 (2008)


Article DOI: 10.1021/jm701129j
BindingDB Entry DOI: 10.7270/Q28K79ZW
More data for this
Ligand-Target Pair