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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 2' and Ligand = 'BDBM21220'   
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
P2Y purinoceptor 2


(HAMSTER)
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
UniProtKB/SwissProt

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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)


Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(HAMSTER)
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
277n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)


Article DOI: 10.1007/bf00168610
BindingDB Entry DOI: 10.7270/Q22V2DMN
More data for this
Ligand-Target Pair