BDBM86486 ATP,TNP::CAS_644357::NSC_644357

SMILES: [#7]-c1ncnc2n(cnc12)-[#6]-1-[#8]-[#6](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)-[#6]-2-[#8]C3([#8]-[#6]-1-2)[#6](=[#6]\[#6](-[#6]=[#6]3-[#7+](-[#8-])=O)=[#7+](/[#8-])-[#8-])-[#7+](-[#8-])=O

InChI Key: InChIKey=LQZBDVDATBCNNN-UHFFFAOYSA-J

Data: 2 KI

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 = 86486   

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
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM86486 (ATP,TNP | CAS_644357 | NSC_644357) Show SMILES [#7]-c1ncnc2n(cnc12)-[#6]-1-[#8]-[#6](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)-[#6]-2-[#8]C3([#8]-[#6]-1-2)[#6](=[#6]\[#6](-[#6]=[#6]3-[#7+](-[#8-])=O)=[#7+](/[#8-])-[#8-])-[#7+](-[#8-])=O |c:36,39| Show InChI InChI=1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H6-,17,18,19,25,26,31,32,33,34,35,36,37)/q-1/p-4	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 407-16 (2004) Article DOI: 10.1124/jpet.103.064907 BindingDB Entry DOI: 10.7270/Q2SQ8XZR
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM86486 (ATP,TNP | CAS_644357 | NSC_644357) Show SMILES [#7]-c1ncnc2n(cnc12)-[#6]-1-[#8]-[#6](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)-[#6]-2-[#8]C3([#8]-[#6]-1-2)[#6](=[#6]\[#6](-[#6]=[#6]3-[#7+](-[#8-])=O)=[#7+](/[#8-])-[#8-])-[#7+](-[#8-])=O |c:36,39| Show InChI InChI=1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H6-,17,18,19,25,26,31,32,33,34,35,36,37)/q-1/p-4	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	14.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 407-16 (2004) Article DOI: 10.1124/jpet.103.064907 BindingDB Entry DOI: 10.7270/Q2SQ8XZR
					More data for this Ligand-Target Pair