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BDBM50172542 {2-[4-(4-Acetylamino-butylamino)-benzoyloxy]-ethyl}-dimethyl-ammonium

SMILES: C[NH+](C)CCOC(=O)c1ccc(NCCCCNC(C)=O)cc1

InChI Key: InChIKey=IOQXZHQOQKKKFA-UHFFFAOYSA-O

Data: 2 Kd

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 = 50172542   
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
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172542
PNG
({2-[4-(4-Acetylamino-butylamino)-benzoyloxy]-ethyl...)
Show SMILES C[NH+](C)CCOC(=O)c1ccc(NCCCCNC(C)=O)cc1
Show InChI InChI=1S/C17H27N3O3/c1-14(21)18-10-4-5-11-19-16-8-6-15(7-9-16)17(22)23-13-12-20(2)3/h6-9,19H,4-5,10-13H2,1-3H3,(H,18,21)/p+1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 2.50E+6n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV


J Med Chem 48: 5805-12 (2005)


Article DOI: 10.1021/jm0502485
BindingDB Entry DOI: 10.7270/Q2BC40BH
More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172542
PNG
({2-[4-(4-Acetylamino-butylamino)-benzoyloxy]-ethyl...)
Show SMILES C[NH+](C)CCOC(=O)c1ccc(NCCCCNC(C)=O)cc1
Show InChI InChI=1S/C17H27N3O3/c1-14(21)18-10-4-5-11-19-16-8-6-15(7-9-16)17(22)23-13-12-20(2)3/h6-9,19H,4-5,10-13H2,1-3H3,(H,18,21)/p+1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 4.00E+6n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at 0 mV


J Med Chem 48: 5805-12 (2005)


Article DOI: 10.1021/jm0502485
BindingDB Entry DOI: 10.7270/Q2BC40BH
More data for this
Ligand-Target Pair