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BDBM50099987 4-(4-Benzyl-phenylamino)-6-methoxy-7-(3-morpholin-4-yl-propoxy)-quinoline-3-carbonitrile::CHEMBL30728

SMILES: COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N

InChI Key: InChIKey=JBPBKOURPXLMAP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50099987   
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 mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50099987
PNG
(4-(4-Benzyl-phenylamino)-6-methoxy-7-(3-morpholin-...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C31H32N4O3/c1-36-29-19-27-28(20-30(29)38-15-5-12-35-13-16-37-17-14-35)33-22-25(21-32)31(27)34-26-10-8-24(9-11-26)18-23-6-3-2-4-7-23/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,33,34)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 14n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50099987
PNG
(4-(4-Benzyl-phenylamino)-6-methoxy-7-(3-morpholin-...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C31H32N4O3/c1-36-29-19-27-28(20-30(29)38-15-5-12-35-13-16-37-17-14-35)33-22-25(21-32)31(27)34-26-10-8-24(9-11-26)18-23-6-3-2-4-7-23/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 2.70n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair