null

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

InChI Key: InChIKey=JRAHGLNTLSHYGH-CXZHUBDXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50445020   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50445020 (CHEMBL3098238) Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C21H24F2N6O4S/c1-2-5-34-21-25-19(24-12-7-9(12)8-3-4-10(22)11(23)6-8)13-20(26-21)29(28-27-13)14-15(30)17(32)18(33)16(14)31/h3-4,6,9,12,14-18,30-33H,2,5,7H2,1H3,(H,24,25,26)/t9-,12+,14-,15-,16+,17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/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
P2Y purinoceptor 12 (Rattus norvegicus)	BDBM50445020 (CHEMBL3098238) Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C21H24F2N6O4S/c1-2-5-34-21-25-19(24-12-7-9(12)8-3-4-10(22)11(23)6-8)13-20(26-21)29(28-27-13)14-15(30)17(32)18(33)16(14)31/h3-4,6,9,12,14-18,30-33H,2,5,7H2,1H3,(H,24,25,26)/t9-,12+,14-,15-,16+,17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/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