BDBM50409758 CHEMBL2112869

SMILES: CCCCCCc1nc(NC)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1

InChI Key: InChIKey=QYNUEUAZUMURRB-BZIRYSOJSA-N

Data: 1 KI  1 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 = 50409758   

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))	BDBM50409758 (CHEMBL2112869) Show SMILES CCCCCCc1nc(NC)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1 Show InChI InChI=1S/C19H31N5O8P2/c1-3-4-5-6-7-15-22-17(20-2)16-18(23-15)24(11-21-16)13-8-14(32-34(28,29)30)19(9-12(13)19)10-31-33(25,26)27/h11-14H,3-10H2,1-2H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/t12-,13+,14+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells				J Med Chem 46: 4974-87 (2003) Article DOI: 10.1021/jm030127+ BindingDB Entry DOI: 10.7270/Q2NS0T9D
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50409758 (CHEMBL2112869) Show SMILES CCCCCCc1nc(NC)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1 Show InChI InChI=1S/C19H31N5O8P2/c1-3-4-5-6-7-15-22-17(20-2)16-18(23-15)24(11-21-16)13-8-14(32-34(28,29)30)19(9-12(13)19)10-31-33(25,26)27/h11-14H,3-10H2,1-2H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/t12-,13+,14+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	452	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Antagonistic activity against P2Y purinoceptor 1				J Med Chem 46: 4974-87 (2003) Article DOI: 10.1021/jm030127+ BindingDB Entry DOI: 10.7270/Q2NS0T9D
					More data for this Ligand-Target Pair