Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2X purinoceptor 3   (359/360 > 99%)† (Homo sapiens (Human))	BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8.20	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				3D Structure (crystal)
P2X purinoceptor 3   (359/360 > 99%)† (Homo sapiens (Human))	BDBM50366480 (ADENOSINE TRIPHOSPHATE | ATP) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X3) at 10 uM, expressed in Xenopus oocytes				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair				3D Structure (crystal)
P2X purinoceptor 3   (359/360 > 99%)† (Homo sapiens (Human))	BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X3) at 10 uM, expressed in Xenopus oocytes				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair				3D Structure (crystal)

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