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1 similar compounds to monomer 50355495

Compile data set for download or QSAR
Wt: 471.5
BDBM50313643

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50313643   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50313643
PNG
((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1nc(cs1)-c1cccnc1
Show InChI InChI=1S/C25H21N5O3S/c1-16-4-10-20(27-24(32)18-8-5-17(6-9-18)7-11-23(31)30-33)13-21(16)28-25-29-22(15-34-25)19-3-2-12-26-14-19/h2-15,33H,1H3,(H,27,32)(H,28,29)(H,30,31)/b11-7+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


J Med Chem 53: 1413-37 (2010)


Article DOI: 10.1021/jm901132v
BindingDB Entry DOI: 10.7270/Q2VD6ZK0
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
BDBM50313643
PNG
((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1nc(cs1)-c1cccnc1
Show InChI InChI=1S/C25H21N5O3S/c1-16-4-10-20(27-24(32)18-8-5-17(6-9-18)7-11-23(31)30-33)13-21(16)28-25-29-22(15-34-25)19-3-2-12-26-14-19/h2-15,33H,1H3,(H,27,32)(H,28,29)(H,30,31)/b11-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of wild type Bcr-Abl


J Med Chem 53: 1413-37 (2010)


Article DOI: 10.1021/jm901132v
BindingDB Entry DOI: 10.7270/Q2VD6ZK0
More data for this
Ligand-Target Pair