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BDBM50399539 CHEMBL2180605

SMILES: CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12

InChI Key: InChIKey=CUDVHEFYRIWYQD-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50399539   
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
Fibroblast growth factor receptor


(Homo sapiens (human))
BDBM50399539
PNG
(CHEMBL2180605)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
Show InChI InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)
PDB
MMDB

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CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 82.5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of FGFR2


J Med Chem 55: 10797-822 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor


(Homo sapiens (human))
BDBM50399539
PNG
(CHEMBL2180605)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
Show InChI InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)
PDB
MMDB

NCI pathway
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CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 17.5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


J Med Chem 55: 10797-822 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50399539
PNG
(CHEMBL2180605)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
Show InChI InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)
PDB
MMDB

KEGG

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
PDB
UniChem
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PubMed
n/an/a 7n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


J Med Chem 55: 10797-822 (2012)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50399539
PNG
(CHEMBL2180605)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
Show InChI InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 55: 10797-822 (2012)

More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50399539
PNG
(CHEMBL2180605)
Show SMILES CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
Show InChI InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


J Med Chem 55: 10797-822 (2012)

More data for this
Ligand-Target Pair