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3 similar compounds to monomer 50031908

Compile data set for download or QSAR
Wt: 642.6
BDBM50031918
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Wt: 598.1
BDBM50031919
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Wt: 577.7
BDBM50031920
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50031918,50031919,50031920   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50031918
PNG
(CHEMBL3360914)
Show SMILES Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3nnc(SCc4cccc(Br)c4)s3)sc2c1
Show InChI InChI=1S/C26H20BrN5O2S4/c1-15-5-2-3-8-19(15)23(34)28-18-9-10-20-21(12-18)37-25(29-20)36-14-22(33)30-24-31-32-26(38-24)35-13-16-6-4-7-17(27)11-16/h2-12H,13-14H2,1H3,(H,28,34)(H,30,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.17E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) assessed as re...


J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50031920
PNG
(CHEMBL3360916)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(NC(=O)c5ccccc5C)cc4s3)s2)c1
Show InChI InChI=1S/C27H23N5O2S4/c1-16-6-5-8-18(12-16)14-35-27-32-31-25(38-27)30-23(33)15-36-26-29-21-11-10-19(13-22(21)37-26)28-24(34)20-9-4-3-7-17(20)2/h3-13H,14-15H2,1-2H3,(H,28,34)(H,30,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.76E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) assessed as re...


J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50031919
PNG
(CHEMBL3360915)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(NC(=O)c5ccccc5Cl)cc4s3)s2)c1
Show InChI InChI=1S/C26H20ClN5O2S4/c1-15-5-4-6-16(11-15)13-35-26-32-31-24(38-26)30-22(33)14-36-25-29-20-10-9-17(12-21(20)37-25)28-23(34)18-7-2-3-8-19(18)27/h2-12H,13-14H2,1H3,(H,28,34)(H,30,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.14E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) assessed as re...


J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair