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BDBM21925 8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-1,2,3-triazol-4-ylmethyl)amino]quinoline-3-carbonitrile::BMCL193485 Compound 8::Cyanoquinoline, 51

SMILES: Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl

InChI Key: InChIKey=KEZDJRADZYWSSG-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21925   
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
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (human))
BDBM21925
PNG
(8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-...)
Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C19H12BrClFN7/c20-15-4-12(24-8-13-9-26-29-28-13)3-14-18(10(6-23)7-25-19(14)15)27-11-1-2-17(22)16(21)5-11/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29)
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UniProtKB/SwissProt

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PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/a7.230



Wyeth Research



Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...


J Med Chem 50: 4728-45 (2007)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (human))
BDBM21925
PNG
(8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-...)
Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C19H12BrClFN7/c20-15-4-12(24-8-13-9-26-29-28-13)3-14-18(10(6-23)7-25-19(14)15)27-11-1-2-17(22)16(21)5-11/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/a7.230



Wyeth Research



Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ...


Bioorg Med Chem Lett 19: 3485-8 (2009)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM21925
PNG
(8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-...)
Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C19H12BrClFN7/c20-15-4-12(24-8-13-9-26-29-28-13)3-14-18(10(6-23)7-25-19(14)15)27-11-1-2-17(22)16(21)5-11/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculat...


J Med Chem 50: 4728-45 (2007)

More data for this
Ligand-Target Pair