BindingDB logo
myBDB logout

BDBM50257155 (E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)benzamide::CHEMBL493358

SMILES: Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1ncc(s1)-c1cccnc1

InChI Key: InChIKey=UYFVVRGISWEBNS-YRNVUSSQSA-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 = 50257155   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50257155
PNG
((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1ncc(s1)-c1cccnc1
Show InChI InChI=1S/C25H21N5O3S/c1-16-4-10-20(28-24(32)18-8-5-17(6-9-18)7-11-23(31)30-33)13-21(16)29-25-27-15-22(34-25)19-3-2-12-26-14-19/h2-15,33H,1H3,(H,27,29)(H,28,32)(H,30,31)/b11-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting


J Med Chem 52: 2265-79 (2009)


Article DOI: 10.1021/jm800988r
BindingDB Entry DOI: 10.7270/Q2NS0TSP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50257155
PNG
((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1ncc(s1)-c1cccnc1
Show InChI InChI=1S/C25H21N5O3S/c1-16-4-10-20(28-24(32)18-8-5-17(6-9-18)7-11-23(31)30-33)13-21(16)29-25-27-15-22(34-25)19-3-2-12-26-14-19/h2-15,33H,1H3,(H,27,29)(H,28,32)(H,30,31)/b11-7+
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 1.10E+4n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) by liquid scintillation counting


J Med Chem 52: 2265-79 (2009)


Article DOI: 10.1021/jm800988r
BindingDB Entry DOI: 10.7270/Q2NS0TSP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50257155
PNG
((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1ncc(s1)-c1cccnc1
Show InChI InChI=1S/C25H21N5O3S/c1-16-4-10-20(28-24(32)18-8-5-17(6-9-18)7-11-23(31)30-33)13-21(16)29-25-27-15-22(34-25)19-3-2-12-26-14-19/h2-15,33H,1H3,(H,27,29)(H,28,32)(H,30,31)/b11-7+
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 3.90E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting


J Med Chem 52: 2265-79 (2009)


Article DOI: 10.1021/jm800988r
BindingDB Entry DOI: 10.7270/Q2NS0TSP
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50257155
PNG
((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1ncc(s1)-c1cccnc1
Show InChI InChI=1S/C25H21N5O3S/c1-16-4-10-20(28-24(32)18-8-5-17(6-9-18)7-11-23(31)30-33)13-21(16)29-25-27-15-22(34-25)19-3-2-12-26-14-19/h2-15,33H,1H3,(H,27,29)(H,28,32)(H,30,31)/b11-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in HEK293 cells


J Med Chem 52: 2265-79 (2009)


Article DOI: 10.1021/jm800988r
BindingDB Entry DOI: 10.7270/Q2NS0TSP
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50257155
PNG
((E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1ncc(s1)-c1cccnc1
Show InChI InChI=1S/C25H21N5O3S/c1-16-4-10-20(28-24(32)18-8-5-17(6-9-18)7-11-23(31)30-33)13-21(16)29-25-27-15-22(34-25)19-3-2-12-26-14-19/h2-15,33H,1H3,(H,27,29)(H,28,32)(H,30,31)/b11-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in HEK293 cells


J Med Chem 52: 2265-79 (2009)


Article DOI: 10.1021/jm800988r
BindingDB Entry DOI: 10.7270/Q2NS0TSP
More data for this
Ligand-Target Pair