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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'dCTP pyrophosphatase 1' and Ligand = 'BDBM50236124'   
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
dCTP pyrophosphatase 1


(Homo sapiens (Human))		BDBM50236124
PNG
(CHEMBL4086506)
Show SMILES c1csc(c1)-c1nnc2sc(nn12)-c1cnccn1
Show InChI InChI=1S/C11H6N6S2/c1-2-8(18-5-1)9-14-15-11-17(9)16-10(19-11)7-6-12-3-4-13-7/h1-6H
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand

J Med Chem 60: 2148-2154 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01786
BindingDB Entry DOI: 10.7270/Q2BR8VGZ
More data for this
Ligand-Target Pair