BDBM50445017 CHEMBL3098242

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](OCCO)[C@H]3F)c2n1

InChI Key: InChIKey=ADSXXBQAMBPANE-DFTGYOLMSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50445017   

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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50445017 (CHEMBL3098242) 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](OCCO)[C@H]3F)c2n1 |r| Show InChI InChI=1S/C23H27F3N6O4S/c1-2-7-37-23-28-21(27-14-9-11(14)10-3-4-12(24)13(25)8-10)16-22(29-23)32(31-30-16)17-15(26)20(36-6-5-33)19(35)18(17)34/h3-4,8,11,14-15,17-20,33-35H,2,5-7,9H2,1H3,(H,27,28,29)/t11-,14+,15-,17+,18-,19-,20-/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	350	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
Purinergic receptor P2Y12 (Rattus norvegicus)	BDBM50445017 (CHEMBL3098242) 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](OCCO)[C@H]3F)c2n1 |r| Show InChI InChI=1S/C23H27F3N6O4S/c1-2-7-37-23-28-21(27-14-9-11(14)10-3-4-12(24)13(25)8-10)16-22(29-23)32(31-30-16)17-15(26)20(36-6-5-33)19(35)18(17)34/h3-4,8,11,14-15,17-20,33-35H,2,5-7,9H2,1H3,(H,27,28,29)/t11-,14+,15-,17+,18-,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	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