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BDBM50075746 CHEMBL3415596

SMILES: Cc1cc(cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1)C(C)(C)O

InChI Key: InChIKey=GAKAFNUKJGXLLC-JKSUJKDBSA-N

Data: 2 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 2 hits for monomerid = 50075746   
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))
BDBM50075746
PNG
(CHEMBL3415596)
Show SMILES Cc1cc(cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H30N6O2/c1-12-8-13(21(2,3)29)9-18(25-12)27-17-10-14(11-24-19(17)20(23)28)26-16-7-5-4-6-15(16)22/h8-11,15-16,26,29H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)/t15-,16+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+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))
BDBM50075746
PNG
(CHEMBL3415596)
Show SMILES Cc1cc(cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H30N6O2/c1-12-8-13(21(2,3)29)9-18(25-12)27-17-10-14(11-24-19(17)20(23)28)26-16-7-5-4-6-15(16)22/h8-11,15-16,26,29H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)/t15-,16+/m0/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 9n/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