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BDBM50106494 7-Chloro-6-(2-morpholin-4-yl-ethylamino)-quinoline-5,8-dione::CHEMBL337520

SMILES: Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2cccnc12

InChI Key: InChIKey=QPIYLJBIUAHGPU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50106494   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50106494
PNG
(7-Chloro-6-(2-morpholin-4-yl-ethylamino)-quinoline...)
Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2cccnc12
Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)14(20)10-2-1-3-17-12(10)15(11)21/h1-4,20-21H,5-9H2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 820n/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)


Article DOI: 10.1021/jm0102046
BindingDB Entry DOI: 10.7270/Q2X34WR5
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50106494
PNG
(7-Chloro-6-(2-morpholin-4-yl-ethylamino)-quinoline...)
Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2cccnc12
Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)14(20)10-2-1-3-17-12(10)15(11)21/h1-4,20-21H,5-9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1021/jm0102046
BindingDB Entry DOI: 10.7270/Q2X34WR5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50106494
PNG
(7-Chloro-6-(2-morpholin-4-yl-ethylamino)-quinoline...)
Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2cccnc12
Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)14(20)10-2-1-3-17-12(10)15(11)21/h1-4,20-21H,5-9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1021/jm0102046
BindingDB Entry DOI: 10.7270/Q2X34WR5
More data for this
Ligand-Target Pair