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BDBM22044 (5Z)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione::(5Z)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-prop-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione::pyrimidine-2,4,6(1H,3H,5H)-trione, 3

SMILES: [O-][N+](=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2\C(=O)NC(=O)N(CC=C)C2=O)o1

InChI Key: InChIKey=GSAVRXQYVUXVNR-LCYFTJDESA-N

Data: 3 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 3 hits for monomerid = 22044   
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
Protein Kinase YpkA


(Yersinia pestis)
BDBM22044
PNG
((5Z)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]meth...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2\C(=O)NC(=O)N(CC=C)C2=O)o1
Show InChI InChI=1S/C18H12ClN3O6/c1-2-7-21-17(24)13(16(23)20-18(21)25)9-11-4-6-15(28-11)12-8-10(22(26)27)3-5-14(12)19/h2-6,8-9H,1,7H2,(H,20,23,25)/b13-9-
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.72E+3n/an/an/an/a7.522



The Rockefeller University



Assay Description
Kinase activity was assayed for autophosphorylation and phosphorylation of MBP with radio-labeled gamma-32P. IC50 values were calculated from binding...


J Med Chem 50: 3980-3 (2007)


Article DOI: 10.1021/jm070645a
BindingDB Entry DOI: 10.7270/Q2ZW1J6Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM22044
PNG
((5Z)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]meth...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2\C(=O)NC(=O)N(CC=C)C2=O)o1
Show InChI InChI=1S/C18H12ClN3O6/c1-2-7-21-17(24)13(16(23)20-18(21)25)9-11-4-6-15(28-11)12-8-10(22(26)27)3-5-14(12)19/h2-6,8-9H,1,7H2,(H,20,23,25)/b13-9-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.05E+5n/an/an/an/a7.522



The Rockefeller University



Assay Description
Kinase activity was assayed for autophosphorylation and phosphorylation of MBP with radio-labeled gamma-32P. IC50 values were calculated from binding...


J Med Chem 50: 3980-3 (2007)


Article DOI: 10.1021/jm070645a
BindingDB Entry DOI: 10.7270/Q2ZW1J6Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM22044
PNG
((5Z)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]meth...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2\C(=O)NC(=O)N(CC=C)C2=O)o1
Show InChI InChI=1S/C18H12ClN3O6/c1-2-7-21-17(24)13(16(23)20-18(21)25)9-11-4-6-15(28-11)12-8-10(22(26)27)3-5-14(12)19/h2-6,8-9H,1,7H2,(H,20,23,25)/b13-9-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.45E+4n/an/an/an/a7.522



The Rockefeller University



Assay Description
Kinase activity was assayed for autophosphorylation and phosphorylation of MBP with radio-labeled gamma-32P. IC50 values were calculated from binding...


J Med Chem 50: 3980-3 (2007)


Article DOI: 10.1021/jm070645a
BindingDB Entry DOI: 10.7270/Q2ZW1J6Z
More data for this
Ligand-Target Pair