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BDBM50142961 CHEMBL3758715

SMILES: CCCCc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1

InChI Key: InChIKey=KEXJXKNMHCJGSP-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50142961   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142961
PNG
(CHEMBL3758715)
Show SMILES CCCCc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
Show InChI InChI=1S/C26H24N4O/c1-2-3-7-18-12-14-19(15-13-18)22-10-6-11-24(28-22)26-29-25(31-30-26)16-20-17-27-23-9-5-4-8-21(20)23/h4-6,8-15,17,27H,2-3,7,16H2,1H3
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PubMed
n/an/a 9.66E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B catalytic domain assessed as hydrolysis of pNPP after 2 mins


Bioorg Med Chem Lett 26: 778-81 (2016)


BindingDB Entry DOI: 10.7270/Q2K939CS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50142961
PNG
(CHEMBL3758715)
Show SMILES CCCCc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
Show InChI InChI=1S/C26H24N4O/c1-2-3-7-18-12-14-19(15-13-18)22-10-6-11-24(28-22)26-29-25(31-30-26)16-20-17-27-23-9-5-4-8-21(20)23/h4-6,8-15,17,27H,2-3,7,16H2,1H3
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n/an/a>1.20E+5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human SHP1 as hydrolysis of pNPP after 2 mins


Bioorg Med Chem Lett 26: 778-81 (2016)


BindingDB Entry DOI: 10.7270/Q2K939CS
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50142961
PNG
(CHEMBL3758715)
Show SMILES CCCCc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
Show InChI InChI=1S/C26H24N4O/c1-2-3-7-18-12-14-19(15-13-18)22-10-6-11-24(28-22)26-29-25(31-30-26)16-20-17-27-23-9-5-4-8-21(20)23/h4-6,8-15,17,27H,2-3,7,16H2,1H3
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PubMed
n/an/a>1.20E+5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human LAR as hydrolysis of pNPP after 2 mins


Bioorg Med Chem Lett 26: 778-81 (2016)


BindingDB Entry DOI: 10.7270/Q2K939CS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50142961
PNG
(CHEMBL3758715)
Show SMILES CCCCc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
Show InChI InChI=1S/C26H24N4O/c1-2-3-7-18-12-14-19(15-13-18)22-10-6-11-24(28-22)26-29-25(31-30-26)16-20-17-27-23-9-5-4-8-21(20)23/h4-6,8-15,17,27H,2-3,7,16H2,1H3
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PubMed
n/an/a>1.20E+5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human TCPTP as hydrolysis of pNPP after 2 mins


Bioorg Med Chem Lett 26: 778-81 (2016)


BindingDB Entry DOI: 10.7270/Q2K939CS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50142961
PNG
(CHEMBL3758715)
Show SMILES CCCCc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
Show InChI InChI=1S/C26H24N4O/c1-2-3-7-18-12-14-19(15-13-18)22-10-6-11-24(28-22)26-29-25(31-30-26)16-20-17-27-23-9-5-4-8-21(20)23/h4-6,8-15,17,27H,2-3,7,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.20E+5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human SHP2 as hydrolysis of pNPP after 2 mins


Bioorg Med Chem Lett 26: 778-81 (2016)


BindingDB Entry DOI: 10.7270/Q2K939CS
More data for this
Ligand-Target Pair