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BDBM35318 aminoisoquinoline, 12a

SMILES: Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1

InChI Key: InChIKey=CCUWZTRFTGLQCV-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

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 5 hits for monomerid = 35318   
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
B-RAF V600E


(Homo sapiens (Human))
BDBM35318
PNG
(aminoisoquinoline, 12a)
Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1
Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/a 53n/an/a7.023



Amgen



Assay Description
The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM35318
PNG
(aminoisoquinoline, 12a)
Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1
Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.60E+3n/an/an/an/a7.523



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM35318
PNG
(aminoisoquinoline, 12a)
Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1
Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM35318
PNG
(aminoisoquinoline, 12a)
Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1
Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM35318
PNG
(aminoisoquinoline, 12a)
Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1
Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 760n/an/an/an/a7.523



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair