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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Uracil nucleotide/cysteinyl leukotriene receptor' and Ligand = 'BDBM50318031'   
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
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50318031
PNG
(CHEMBL1097279 | cangrelor)
Show SMILES CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)C(Cl)(Cl)P([O-])([O-])=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/p-4/t8-,10-,11-,14-/m1/s1
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Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of UDP-glucose-induced [35S]GTPgammaS binding after 30 mins...


J Med Chem 53: 3489-501 (2010)


Article DOI: 10.1021/jm901691y
BindingDB Entry DOI: 10.7270/Q28C9WFW
More data for this
Ligand-Target Pair