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BDBM35322 aminoisoquinoline, 15

SMILES: CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12

InChI Key: InChIKey=AAAXBDFZRXKRPL-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 = 35322   
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))
BDBM35322
PNG
(aminoisoquinoline, 15)
Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12
Show InChI InChI=1S/C28H23N7/c1-4-19-7-5-8-20(15-19)34-27-22-11-10-18(2)26(21(22)12-14-31-27)35-28-23(9-6-13-30-28)24-16-25(29-3)33-17-32-24/h1,5-17H,2-3H3,(H,30,35)(H,31,34)(H,29,32,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/a 26n/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))
BDBM35322
PNG
(aminoisoquinoline, 15)
Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12
Show InChI InChI=1S/C28H23N7/c1-4-19-7-5-8-20(15-19)34-27-22-11-10-18(2)26(21(22)12-14-31-27)35-28-23(9-6-13-30-28)24-16-25(29-3)33-17-32-24/h1,5-17H,2-3H3,(H,30,35)(H,31,34)(H,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 450n/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))
BDBM35322
PNG
(aminoisoquinoline, 15)
Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12
Show InChI InChI=1S/C28H23N7/c1-4-19-7-5-8-20(15-19)34-27-22-11-10-18(2)26(21(22)12-14-31-27)35-28-23(9-6-13-30-28)24-16-25(29-3)33-17-32-24/h1,5-17H,2-3H3,(H,30,35)(H,31,34)(H,29,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10n/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))
BDBM35322
PNG
(aminoisoquinoline, 15)
Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12
Show InChI InChI=1S/C28H23N7/c1-4-19-7-5-8-20(15-19)34-27-22-11-10-18(2)26(21(22)12-14-31-27)35-28-23(9-6-13-30-28)24-16-25(29-3)33-17-32-24/h1,5-17H,2-3H3,(H,30,35)(H,31,34)(H,29,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/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))
BDBM35322
PNG
(aminoisoquinoline, 15)
Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12
Show InChI InChI=1S/C28H23N7/c1-4-19-7-5-8-20(15-19)34-27-22-11-10-18(2)26(21(22)12-14-31-27)35-28-23(9-6-13-30-28)24-16-25(29-3)33-17-32-24/h1,5-17H,2-3H3,(H,30,35)(H,31,34)(H,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/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