BindingDB logo
myBDB logout

BDBM50441297 CHEMBL2431664::CHEMBL2431666

SMILES: O[C@H](c1cccc(c1)-c1ccc(cc1)C(=O)P(O)(O)O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=UFGNNGASNTXMIR-LJQANCHMSA-N

Data: 6 KI

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 6 hits for monomerid = 50441297   
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 5 isoform a


(Homo sapiens (Human))
BDBM50441297
PNG
(CHEMBL2431664 | CHEMBL2431666)
Show SMILES O[C@H](c1cccc(c1)-c1ccc(cc1)C(=O)P(O)(O)O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H17Cl2O5P/c21-17-9-8-16(11-18(17)22)19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)20(24)28(25,26)27/h1-11,19,23,25-28H/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.90E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human STEP using pNPP as substrate after 5 mins by spectrophotometric plate reader analysis


J Med Chem 56: 7636-50 (2013)


Article DOI: 10.1021/jm401037h
BindingDB Entry DOI: 10.7270/Q2HH6MHW
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50441297
PNG
(CHEMBL2431664 | CHEMBL2431666)
Show SMILES O[C@H](c1cccc(c1)-c1ccc(cc1)C(=O)P(O)(O)O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H17Cl2O5P/c21-17-9-8-16(11-18(17)22)19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)20(24)28(25,26)27/h1-11,19,23,25-28H/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.80E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human STEP using pNPP as substrate after 5 mins by spectrophotometric plate reader analysis


J Med Chem 56: 7636-50 (2013)


Article DOI: 10.1021/jm401037h
BindingDB Entry DOI: 10.7270/Q2HH6MHW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50441297
PNG
(CHEMBL2431664 | CHEMBL2431666)
Show SMILES O[C@H](c1cccc(c1)-c1ccc(cc1)C(=O)P(O)(O)O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H17Cl2O5P/c21-17-9-8-16(11-18(17)22)19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)20(24)28(25,26)27/h1-11,19,23,25-28H/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.64E+5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human TC-PTP using pNPP as substrate after 5 mins by spectrophotometric plate reader analysis


J Med Chem 56: 7636-50 (2013)


Article DOI: 10.1021/jm401037h
BindingDB Entry DOI: 10.7270/Q2HH6MHW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase phosphatase 5 (MKP5)


(Homo sapiens (Human))
BDBM50441297
PNG
(CHEMBL2431664 | CHEMBL2431666)
Show SMILES O[C@H](c1cccc(c1)-c1ccc(cc1)C(=O)P(O)(O)O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H17Cl2O5P/c21-17-9-8-16(11-18(17)22)19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)20(24)28(25,26)27/h1-11,19,23,25-28H/t19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human MKP5 using DiFMUP as substrate after 5 mins by spectrophotometric plate reader analysis


J Med Chem 56: 7636-50 (2013)


Article DOI: 10.1021/jm401037h
BindingDB Entry DOI: 10.7270/Q2HH6MHW
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50441297
PNG
(CHEMBL2431664 | CHEMBL2431666)
Show SMILES O[C@H](c1cccc(c1)-c1ccc(cc1)C(=O)P(O)(O)O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H17Cl2O5P/c21-17-9-8-16(11-18(17)22)19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)20(24)28(25,26)27/h1-11,19,23,25-28H/t19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human CD45 using pNPP as substrate after 5 mins by spectrophotometric plate reader analysis


J Med Chem 56: 7636-50 (2013)


Article DOI: 10.1021/jm401037h
BindingDB Entry DOI: 10.7270/Q2HH6MHW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50441297
PNG
(CHEMBL2431664 | CHEMBL2431666)
Show SMILES O[C@H](c1cccc(c1)-c1ccc(cc1)C(=O)P(O)(O)O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H17Cl2O5P/c21-17-9-8-16(11-18(17)22)19(23)15-3-1-2-14(10-15)12-4-6-13(7-5-12)20(24)28(25,26)27/h1-11,19,23,25-28H/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60E+5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human LAR using pNPP as substrate after 5 mins by spectrophotometric plate reader analysis


J Med Chem 56: 7636-50 (2013)


Article DOI: 10.1021/jm401037h
BindingDB Entry DOI: 10.7270/Q2HH6MHW
More data for this
Ligand-Target Pair