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]3F)c2n1

InChI Key: InChIKey=JLYCDVDEIUIVQR-VQGFLVHSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50445011   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50445011 (CHEMBL3098241) 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]3F)c2n1 |r| Show InChI InChI=1S/C21H23F3N6O3S/c1-2-5-34-21-26-19(25-12-7-9(12)8-3-4-10(22)11(23)6-8)14-20(27-21)30(29-28-14)15-13(24)16(31)18(33)17(15)32/h3-4,6,9,12-13,15-18,31-33H,2,5,7H2,1H3,(H,25,26,27)/t9-,12+,13-,15+,16-,17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				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 (Homo sapiens (Human))	BDBM50445011 (CHEMBL3098241) 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]3F)c2n1 |r| Show InChI InChI=1S/C21H23F3N6O3S/c1-2-5-34-21-26-19(25-12-7-9(12)8-3-4-10(22)11(23)6-8)14-20(27-21)30(29-28-14)15-13(24)16(31)18(33)17(15)32/h3-4,6,9,12-13,15-18,31-33H,2,5,7H2,1H3,(H,25,26,27)/t9-,12+,13-,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	220	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)	BDBM50445011 (CHEMBL3098241) 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]3F)c2n1 |r| Show InChI InChI=1S/C21H23F3N6O3S/c1-2-5-34-21-26-19(25-12-7-9(12)8-3-4-10(22)11(23)6-8)14-20(27-21)30(29-28-14)15-13(24)16(31)18(33)17(15)32/h3-4,6,9,12-13,15-18,31-33H,2,5,7H2,1H3,(H,25,26,27)/t9-,12+,13-,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	290	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