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BDBM82945 3-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]propanoic acid::3-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl]propanoic acid::3-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl]propanoic acid::3-[3-(4-chlorophenyl)-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl]propionic acid::MLS001165364::SMR000540071::cid_1796169

SMILES: Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12

InChI Key: InChIKey=UIWDQXWMFKAHRL-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 82945   
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
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM82945
PNG
(3-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxidanylidene...)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12
Show InChI InChI=1S/C22H17ClO5/c1-11-15(7-8-19(24)25)22(26)28-21-12(2)20-17(9-16(11)21)18(10-27-20)13-3-5-14(23)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM82945
PNG
(3-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxidanylidene...)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12
Show InChI InChI=1S/C22H17ClO5/c1-11-15(7-8-19(24)25)22(26)28-21-12(2)20-17(9-16(11)21)18(10-27-20)13-3-5-14(23)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.24E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM82945
PNG
(3-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxidanylidene...)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12
Show InChI InChI=1S/C22H17ClO5/c1-11-15(7-8-19(24)25)22(26)28-21-12(2)20-17(9-16(11)21)18(10-27-20)13-3-5-14(23)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.91E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM82945
PNG
(3-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxidanylidene...)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12
Show InChI InChI=1S/C22H17ClO5/c1-11-15(7-8-19(24)25)22(26)28-21-12(2)20-17(9-16(11)21)18(10-27-20)13-3-5-14(23)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.61E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair