BDBM50445023 CHEMBL3098234

SMILES: CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)s2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=CULMUKSEFZTUGJ-FDIQVDDWSA-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 = 50445023   

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))	BDBM50445023 (CHEMBL3098234) Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)s2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C21H27ClN6O4S2/c1-2-7-33-21-24-19(23-11-8-10(11)14-3-4-15(22)34-14)16-20(25-21)28(27-26-16)12-9-13(32-6-5-29)18(31)17(12)30/h3-4,10-13,17-18,29-31H,2,5-9H2,1H3,(H,23,24,25)/t10-,11-,12-,13+,17+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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)	BDBM50445023 (CHEMBL3098234) Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)s2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C21H27ClN6O4S2/c1-2-7-33-21-24-19(23-11-8-10(11)14-3-4-15(22)34-14)16-20(25-21)28(27-26-16)12-9-13(32-6-5-29)18(31)17(12)30/h3-4,10-13,17-18,29-31H,2,5-9H2,1H3,(H,23,24,25)/t10-,11-,12-,13+,17+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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