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SMILES: Clc1ccc(C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N2CCOCC2)c(Cl)c1

InChI Key: InChIKey=RPTBEJCGKVGUHU-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 = 51048   
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
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM51048
PNG
(2,4-dichlorobenzoic acid 2-(1,3-diketo-6-morpholin...)
Show SMILES Clc1ccc(C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C25H20Cl2N2O5/c26-15-4-5-16(20(27)14-15)25(32)34-13-10-29-23(30)18-3-1-2-17-21(28-8-11-33-12-9-28)7-6-19(22(17)18)24(29)31/h1-7,14H,8-13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.83E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM51048
PNG
(2,4-dichlorobenzoic acid 2-(1,3-diketo-6-morpholin...)
Show SMILES Clc1ccc(C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C25H20Cl2N2O5/c26-15-4-5-16(20(27)14-15)25(32)34-13-10-29-23(30)18-3-1-2-17-21(28-8-11-33-12-9-28)7-6-19(22(17)18)24(29)31/h1-7,14H,8-13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.11E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)
BDBM51048
PNG
(2,4-dichlorobenzoic acid 2-(1,3-diketo-6-morpholin...)
Show SMILES Clc1ccc(C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C25H20Cl2N2O5/c26-15-4-5-16(20(27)14-15)25(32)34-13-10-29-23(30)18-3-1-2-17-21(28-8-11-33-12-9-28)7-6-19(22(17)18)24(29)31/h1-7,14H,8-13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.04E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair