BindingDB logo
myBDB logout

BDBM50075813 CHEMBL3415598

SMILES: Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(n1)-n1nccn1

InChI Key: InChIKey=NVIPEZKGZKSMPT-UONOGXRCSA-N

Data: 2 IC50

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 2 hits for monomerid = 50075813   
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))
BDBM50075813
PNG
(CHEMBL3415598)
Show SMILES Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(n1)-n1nccn1 |r|
Show InChI InChI=1S/C19H24N10O/c1-11-8-16(28-19(25-11)29-23-6-7-24-29)27-15-9-12(10-22-17(15)18(21)30)26-14-5-3-2-4-13(14)20/h6-10,13-14,26H,2-5,20H2,1H3,(H2,21,30)(H,25,27,28)/t13-,14+/m0/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 4.40E+4n/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))
BDBM50075813
PNG
(CHEMBL3415598)
Show SMILES Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(n1)-n1nccn1 |r|
Show InChI InChI=1S/C19H24N10O/c1-11-8-16(28-19(25-11)29-23-6-7-24-29)27-15-9-12(10-22-17(15)18(21)30)26-14-5-3-2-4-13(14)20/h6-10,13-14,26H,2-5,20H2,1H3,(H2,21,30)(H,25,27,28)/t13-,14+/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 0.0100n/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