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BDBM50317478 5-(azocan-1-yl)-7-benzyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine::CHEMBL1094771

SMILES: Nc1n[nH]c2nc(N3CCCCCCC3)c3CN(Cc4ccccc4)CCc3c12

InChI Key: InChIKey=NUKQFQCRMMSKDE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50317478   
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
Bombesin


(RAT)
BDBM50317478
PNG
(5-(azocan-1-yl)-7-benzyl-6,7,8,9-tetrahydro-3H-pyr...)
Show SMILES Nc1n[nH]c2nc(N3CCCCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C23H30N6/c24-21-20-18-11-14-28(15-17-9-5-4-6-10-17)16-19(18)23(25-22(20)27-26-21)29-12-7-2-1-3-8-13-29/h4-6,9-10H,1-3,7-8,11-16H2,(H3,24,25,26,27)
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.065
BindingDB Entry DOI: 10.7270/Q2NZ88K4
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM50317478
PNG
(5-(azocan-1-yl)-7-benzyl-6,7,8,9-tetrahydro-3H-pyr...)
Show SMILES Nc1n[nH]c2nc(N3CCCCCCC3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C23H30N6/c24-21-20-18-11-14-28(15-17-9-5-4-6-10-17)16-19(18)23(25-22(20)27-26-21)29-12-7-2-1-3-8-13-29/h4-6,9-10H,1-3,7-8,11-16H2,(H3,24,25,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 2785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.065
BindingDB Entry DOI: 10.7270/Q2NZ88K4
More data for this
Ligand-Target Pair