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SMILES: Clc1ccc(OCC(=O)Nc2ccc(cc2)-c2ccc(nn2)N2CCOCC2)c(Cl)c1

InChI Key: InChIKey=HWRUQHYIBARRCP-UHFFFAOYSA-N

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 = 58809   
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
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM58809
PNG
(2-(2,4-dichlorophenoxy)-N-[4-(6-morpholin-4-ylpyri...)
Show SMILES Clc1ccc(OCC(=O)Nc2ccc(cc2)-c2ccc(nn2)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2N4O3/c23-16-3-7-20(18(24)13-16)31-14-22(29)25-17-4-1-15(2-5-17)19-6-8-21(27-26-19)28-9-11-30-12-10-28/h1-8,13H,9-12,14H2,(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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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
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM58809
PNG
(2-(2,4-dichlorophenoxy)-N-[4-(6-morpholin-4-ylpyri...)
Show SMILES Clc1ccc(OCC(=O)Nc2ccc(cc2)-c2ccc(nn2)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2N4O3/c23-16-3-7-20(18(24)13-16)31-14-22(29)25-17-4-1-15(2-5-17)19-6-8-21(27-26-19)28-9-11-30-12-10-28/h1-8,13H,9-12,14H2,(H,25,29)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.43E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BK19S0
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM58809
PNG
(2-(2,4-dichlorophenoxy)-N-[4-(6-morpholin-4-ylpyri...)
Show SMILES Clc1ccc(OCC(=O)Nc2ccc(cc2)-c2ccc(nn2)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C22H20Cl2N4O3/c23-16-3-7-20(18(24)13-16)31-14-22(29)25-17-4-1-15(2-5-17)19-6-8-21(27-26-19)28-9-11-30-12-10-28/h1-8,13H,9-12,14H2,(H,25,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.51E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26T0K34
More data for this
Ligand-Target Pair