BDBM50118238 CHEMBL339873::MRS 2279

SMILES: CNc1nc(Cl)nc2n(cnc12)[C@H]1CC(OP(O)(O)=O)C2(COP(O)(O)=O)CC12

InChI Key: InChIKey=NDCFGYFBDZLTJB-KENUYJCBSA-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 = 50118238   

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 1 (Meleagris gallopavo)	BDBM50118238 (CHEMBL339873 | MRS 2279) Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@H]1CC(OP(O)(O)=O)C2(COP(O)(O)=O)CC12 Show InChI InChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6?,7-,8?,13?/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51.6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts				J Med Chem 43: 829-42 (2000) BindingDB Entry DOI: 10.7270/Q2474BJ3
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50118238 (CHEMBL339873 | MRS 2279) Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@H]1CC(OP(O)(O)=O)C2(COP(O)(O)=O)CC12 Show InChI InChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6?,7-,8?,13?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against Turkey erythrocyte P2Y purinoceptor 1 (P2Y1) by the compound is measured				J Med Chem 45: 208-18 (2001) BindingDB Entry DOI: 10.7270/Q2JS9R58
					More data for this Ligand-Target Pair