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2 similar compounds to monomer 82898

Compile data set for download or QSAR
Wt: 395.4
BDBM53513
Purchase
Wt: 446.5
BDBM83194

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 53513,83194   
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)
BDBM83194
PNG
((6R,7R)-3-(acetoxymethyl)-8-keto-7-[(2-phenylacety...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1ccccc1)C2=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H26N2O6S/c1-13(25)29-11-15-12-31-20-17(23-16(26)10-14-8-6-5-7-9-14)19(27)24(20)18(15)21(28)30-22(2,3)4/h5-9,17,20H,10-12H2,1-4H3,(H,23,26)/t17-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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


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 protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM53513
PNG
(CEPHALOTHIN SODIUM SALT | Cephalothin | MLS0000695...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C([O-])=O
Show InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/p-1/t12-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 920n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2RJ4GWX
More data for this
Ligand-Target Pair