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BDBM50099983 6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thiophen-3-ylmethyl-phenylamino)-quinoline-3-carbonitrile::CHEMBL30359

SMILES: COc1cc2c(Nc3ccc(Cc4ccsc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N

InChI Key: InChIKey=FFARQPCCHAWUOM-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 = 50099983   
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))
BDBM50099983
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccsc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H30N4O3S/c1-34-27-16-25-26(17-28(27)36-11-2-8-33-9-12-35-13-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-14-37-20-22/h3-7,14,16-17,19-20H,2,8-13,15H2,1H3,(H,31,32)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 23n/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))
BDBM50099983
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccsc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H30N4O3S/c1-34-27-16-25-26(17-28(27)36-11-2-8-33-9-12-35-13-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-14-37-20-22/h3-7,14,16-17,19-20H,2,8-13,15H2,1H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 4.20n/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