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BDBM50075739 CHEMBL3415588

SMILES: COC[C@H](N)CNc1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1

InChI Key: InChIKey=AQIMRZVVRRUVKP-GFCCVEGCSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50075739   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50075739
PNG
(CHEMBL3415588)
Show SMILES COC[C@H](N)CNc1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1 |r|
Show InChI InChI=1S/C17H24N6O2/c1-10-4-11(2)22-15(5-10)23-14-6-13(8-21-16(14)17(19)24)20-7-12(18)9-25-3/h4-6,8,12,20H,7,9,18H2,1-3H3,(H2,19,24)(H,22,23)/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress elect...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075739
PNG
(CHEMBL3415588)
Show SMILES COC[C@H](N)CNc1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1 |r|
Show InChI InChI=1S/C17H24N6O2/c1-10-4-11(2)22-15(5-10)23-14-6-13(8-21-16(14)17(19)24)20-7-12(18)9-25-3/h4-6,8,12,20H,7,9,18H2,1-3H3,(H2,19,24)(H,22,23)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair