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BDBM50283263 CHEMBL4174374

SMILES: Fc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1

InChI Key: InChIKey=DNZYFEKYHPAIRX-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50283263   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50283263
PNG
(CHEMBL4174374)
Show SMILES Fc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1
Show InChI InChI=1S/C21H17FN4O2/c1-2-20(27)26-19-9-5-8-17(24-19)14-10-12-15(13-11-14)23-21(28)25-18-7-4-3-6-16(18)22/h2-13H,1H2,(H2,23,25,28)(H,24,26,27)
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PubMed
n/an/a 15n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


Eur J Med Chem 141: 373-385 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50283263
PNG
(CHEMBL4174374)
Show SMILES Fc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1
Show InChI InChI=1S/C21H17FN4O2/c1-2-20(27)26-19-9-5-8-17(24-19)14-10-12-15(13-11-14)23-21(28)25-18-7-4-3-6-16(18)22/h2-13H,1H2,(H2,23,25,28)(H,24,26,27)
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PubMed
n/an/a 17n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibitory activity against thymidylate synthase (TS)


Eur J Med Chem 141: 373-385 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50283263
PNG
(CHEMBL4174374)
Show SMILES Fc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1
Show InChI InChI=1S/C21H17FN4O2/c1-2-20(27)26-19-9-5-8-17(24-19)14-10-12-15(13-11-14)23-21(28)25-18-7-4-3-6-16(18)22/h2-13H,1H2,(H2,23,25,28)(H,24,26,27)
PDB
MMDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay


Eur J Med Chem 141: 373-385 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.008
BindingDB Entry DOI: 10.7270/Q29889J3
More data for this
Ligand-Target Pair