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SMILES: CCCCCCOc1ccc(NC2=C(Cl)C(=O)c3cccnc3C2=O)cc1

InChI Key: InChIKey=MEGQGRDKTAMKGE-UHFFFAOYSA-N

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 3 hits for monomerid = 50106502   
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
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50106502
PNG
(6-Chloro-7-(4-hexyloxy-phenylamino)-quinoline-5,8-...)
Show SMILES CCCCCCOc1ccc(NC2=C(Cl)C(=O)c3cccnc3C2=O)cc1 |c:12|
Show InChI InChI=1S/C21H21ClN2O3/c1-2-3-4-5-13-27-15-10-8-14(9-11-15)24-19-17(22)20(25)16-7-6-12-23-18(16)21(19)26/h6-12,24H,2-5,13H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibitory Activity against Recombinant Human VHR


J Med Chem 44: 4042-9 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WR5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50106502
PNG
(6-Chloro-7-(4-hexyloxy-phenylamino)-quinoline-5,8-...)
Show SMILES CCCCCCOc1ccc(NC2=C(Cl)C(=O)c3cccnc3C2=O)cc1 |c:12|
Show InChI InChI=1S/C21H21ClN2O3/c1-2-3-4-5-13-27-15-10-8-14(9-11-15)24-19-17(22)20(25)16-7-6-12-23-18(16)21(19)26/h6-12,24H,2-5,13H2,1H3
PDB
MMDB

NCI pathway
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KEGG

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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibitory Activity against Recombinant Human PTP1


J Med Chem 44: 4042-9 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WR5
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50106502
PNG
(6-Chloro-7-(4-hexyloxy-phenylamino)-quinoline-5,8-...)
Show SMILES CCCCCCOc1ccc(NC2=C(Cl)C(=O)c3cccnc3C2=O)cc1 |c:12|
Show InChI InChI=1S/C21H21ClN2O3/c1-2-3-4-5-13-27-15-10-8-14(9-11-15)24-19-17(22)20(25)16-7-6-12-23-18(16)21(19)26/h6-12,24H,2-5,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 930n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cell division cycle 25B


J Med Chem 44: 4042-9 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WR5
More data for this
Ligand-Target Pair