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3 similar compounds to monomer 50199453

Compile data set for download or QSAR
Wt: 376.3
BDBM50199451
Wt: 257.2
BDBM50199475
Wt: 247.2
BDBM50199476

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50199451,50199475,50199476   
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
Shiga toxin subunit A


(Shigella dysenteriae)
BDBM50199475
PNG
(CHEMBL3939786)
Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO2/c1-10(18)13-4-2-3-5-14(13)17-15(19)11-6-8-12(16)9-7-11/h2-9H,1H3,(H,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.36E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...


J Med Chem 59: 10763-10773 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01517
BindingDB Entry DOI: 10.7270/Q2571DZG
More data for this
Ligand-Target Pair
Shiga toxin subunit A


(Shigella dysenteriae)
BDBM50199476
PNG
(CHEMBL590801)
Show SMILES Oc1cc(\C=C\c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C17H13NO/c19-17-12-14(11-10-13-6-2-1-3-7-13)18-16-9-5-4-8-15(16)17/h1-12H,(H,18,19)/b11-10+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...


J Med Chem 59: 10763-10773 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01517
BindingDB Entry DOI: 10.7270/Q2571DZG
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))
BDBM50199451
PNG
(CHEMBL3945365)
Show SMILES CNC(=O)c1cc(Oc2ccc(\C=C\C(=O)c3ccc(F)cc3)cc2)ccn1
Show InChI InChI=1S/C22H17FN2O3/c1-24-22(27)20-14-19(12-13-25-20)28-18-9-2-15(3-10-18)4-11-21(26)16-5-7-17(23)8-6-16/h2-14H,1H3,(H,24,27)/b11-4+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition by mobility shif...


Bioorg Med Chem Lett 26: 5450-5454 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.029
BindingDB Entry DOI: 10.7270/Q2JD4ZRP
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50199451
PNG
(CHEMBL3945365)
Show SMILES CNC(=O)c1cc(Oc2ccc(\C=C\C(=O)c3ccc(F)cc3)cc2)ccn1
Show InChI InChI=1S/C22H17FN2O3/c1-24-22(27)20-14-19(12-13-25-20)28-18-9-2-15(3-10-18)4-11-21(26)16-5-7-17(23)8-6-16/h2-14H,1H3,(H,24,27)/b11-4+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin) using FAM-labeled peptide as substrate after 1 hr by Lanthascreen assay


Bioorg Med Chem Lett 26: 5450-5454 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.029
BindingDB Entry DOI: 10.7270/Q2JD4ZRP
More data for this
Ligand-Target Pair