BDBM50131064 CHEMBL3634182

SMILES: CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(S)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=SNYCUVYLIGMAED-QGPPJTFUSA-N

Data: 4 EC50

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 4 hits for monomerid = 50131064   

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 P2Y1 (Homo sapiens (Human))	BDBM50131064 (CHEMBL3634182) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(S)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H17N5O9P2S2/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(24-10)2-23-27(22,28)25-26(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,28)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-,27?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				J Med Chem 58: 8427-43 (2015) BindingDB Entry DOI: 10.7270/Q2736SRG
					More data for this Ligand-Target Pair
Purinergic receptor P2Y11 (Homo sapiens (Human))	BDBM50131064 (CHEMBL3634182) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(S)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H17N5O9P2S2/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(24-10)2-23-27(22,28)25-26(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,28)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Agonist activity at GFP-tagged human P2Y11R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-bas...				J Med Chem 58: 8427-43 (2015) BindingDB Entry DOI: 10.7270/Q2736SRG
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50131064 (CHEMBL3634182) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(S)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H17N5O9P2S2/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(24-10)2-23-27(22,28)25-26(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,28)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-,27?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Agonist activity at GFP-tagged human P2Y1R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-base...				J Med Chem 58: 8427-43 (2015) BindingDB Entry DOI: 10.7270/Q2736SRG
					More data for this Ligand-Target Pair
Purinergic receptor P2Y11 (Homo sapiens (Human))	BDBM50131064 (CHEMBL3634182) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(S)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C11H17N5O9P2S2/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(24-10)2-23-27(22,28)25-26(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,28)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay Description Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1				J Med Chem 58: 8427-43 (2015) BindingDB Entry DOI: 10.7270/Q2736SRG
					More data for this Ligand-Target Pair