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BDBM50445015 CHEMBL3098247

SMILES: CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](F)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=PYVGFJFYDCNFII-FJPIFFLYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50445015   
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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50445015
PNG
(CHEMBL3098247)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](F)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C21H23F3N6O2S/c1-2-5-33-21-26-19(25-14-7-10(14)9-3-4-11(22)12(23)6-9)16-20(27-21)30(29-28-16)15-8-13(24)17(31)18(15)32/h3-4,6,10,13-15,17-18,31-32H,2,5,7-8H2,1H3,(H,25,26,27)/t10-,13-,14+,15+,17+,18-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in human platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins p...


Bioorg Med Chem Lett 24: 141-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.055
BindingDB Entry DOI: 10.7270/Q24T6KVN
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50445015
PNG
(CHEMBL3098247)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](F)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C21H23F3N6O2S/c1-2-5-33-21-26-19(25-14-7-10(14)9-3-4-11(22)12(23)6-9)16-20(27-21)30(29-28-16)15-8-13(24)17(31)18(15)32/h3-4,6,10,13-15,17-18,31-32H,2,5,7-8H2,1H3,(H,25,26,27)/t10-,13-,14+,15+,17+,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in rat platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins pri...


Bioorg Med Chem Lett 24: 141-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.055
BindingDB Entry DOI: 10.7270/Q24T6KVN
More data for this
Ligand-Target Pair