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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50239536'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50239536
PNG
(CHEMBL3902093)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(OCCCCCCCCOCC#C)cc1
Show InChI InChI=1S/C36H42N6O2/c1-3-22-43-23-8-6-4-5-7-9-24-44-30-14-10-27(11-15-30)35-37-31-16-12-28(25-33(31)39-35)36-38-32-17-13-29(26-34(32)40-36)42-20-18-41(2)19-21-42/h1,10-17,25-26H,4-9,18-24H2,2H3,(H,37,39)(H,38,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 60: 4904-4922 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00191
BindingDB Entry DOI: 10.7270/Q2XW4N0B
More data for this
Ligand-Target Pair