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BDBM41665 MLS000527145::N-[5-(4-Chloro-phenyl)-furan-2-ylmethylene]-N'-(2,6-di-morpholin-4-yl-pyrimidin-4-yl)-hydrazine::N-[[5-(4-chlorophenyl)-2-furanyl]methylideneamino]-2,6-bis(4-morpholinyl)-4-pyrimidinamine::N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,6-dimorpholin-4-yl-pyrimidin-4-amine::N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine::SMR000117619::[[5-(4-chlorophenyl)-2-furyl]methyleneamino]-(2,6-dimorpholinopyrimidin-4-yl)amine::cid_3112378

SMILES: Clc1ccc(cc1)-c1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)o1

InChI Key: InChIKey=SBYBRWPPKVGCFE-UHFFFAOYSA-N

Data: 3 EC50

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 = 41665   
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
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM41665
PNG
(MLS000527145 | N-[5-(4-Chloro-phenyl)-furan-2-ylme...)
Show SMILES Clc1ccc(cc1)-c1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)o1 |w:13.14|
Show InChI InChI=1S/C23H25ClN6O3/c24-18-3-1-17(2-4-18)20-6-5-19(33-20)16-25-28-21-15-22(29-7-11-31-12-8-29)27-23(26-21)30-9-13-32-14-10-30/h1-6,15H,7-14,16H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.08E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26D5RD0
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM41665
PNG
(MLS000527145 | N-[5-(4-Chloro-phenyl)-furan-2-ylme...)
Show SMILES Clc1ccc(cc1)-c1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)o1 |w:13.14|
Show InChI InChI=1S/C23H25ClN6O3/c24-18-3-1-17(2-4-18)20-6-5-19(33-20)16-25-28-21-15-22(29-7-11-31-12-8-29)27-23(26-21)30-9-13-32-14-10-30/h1-6,15H,7-14,16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM41665
PNG
(MLS000527145 | N-[5-(4-Chloro-phenyl)-furan-2-ylme...)
Show SMILES Clc1ccc(cc1)-c1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)o1 |w:13.14|
Show InChI InChI=1S/C23H25ClN6O3/c24-18-3-1-17(2-4-18)20-6-5-19(33-20)16-25-28-21-15-22(29-7-11-31-12-8-29)27-23(26-21)30-9-13-32-14-10-30/h1-6,15H,7-14,16H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.45E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2902257
More data for this
Ligand-Target Pair