Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 6' and Ligand = 'BDBM50496863'   

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
P2Y purinoceptor 6 (Homo sapiens (Human))	BDBM50496863 (CHEMBL3220052) Show SMILES CCN(CC)CC.Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCCn3cc(CCC#Cc4cccc(CO\N=c5\ccn([C@@H]6O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]6O)c(=O)[nH]5)c4)nn3)c3ccc(=N)c(c3oc2c1S(O)(=O)=O)S(O)(=O)=O |r,wU:50.49,52.52,wD:63.63,65.66,(35.46,-11.01,;34.13,-10.24,;32.79,-11.01,;31.46,-10.24,;31.46,-8.7,;32.79,-12.55,;31.46,-13.32,;35.68,-5.99,;37,-6.79,;36.96,-8.35,;38.29,-9.15,;39.64,-8.41,;40.96,-9.2,;40.93,-10.74,;39.58,-11.49,;39.56,-13.03,;40.87,-13.81,;42.22,-13.07,;42.25,-11.53,;43.6,-10.79,;44.92,-11.58,;44.66,-9.67,;40.85,-15.35,;42.17,-16.15,;39.5,-16.1,;39.47,-17.64,;38.12,-18.38,;38.1,-19.92,;36.75,-20.67,;36.72,-22.21,;35.38,-22.96,;35.35,-24.5,;33.85,-24.86,;33.74,-26.39,;32.43,-27.2,;31.08,-26.47,;29.77,-27.28,;28.46,-28.09,;27.15,-28.9,;27.2,-30.45,;25.88,-31.26,;24.53,-30.52,;24.5,-28.99,;23.14,-28.25,;21.83,-29.06,;20.48,-28.32,;19.16,-29.13,;17.81,-28.4,;16.49,-29.21,;16.54,-30.74,;15.22,-31.55,;13.96,-30.66,;12.73,-31.59,;11.39,-30.84,;10.07,-31.63,;8.72,-30.89,;9.41,-29.5,;7.87,-29.58,;7.4,-31.68,;6.05,-30.93,;4.73,-31.72,;4.96,-29.83,;6.81,-29.58,;13.23,-33.04,;12.35,-34.3,;14.77,-33.02,;15.7,-34.25,;17.88,-31.47,;17.92,-33.01,;19.2,-30.67,;25.8,-28.18,;35.16,-26.98,;36.16,-25.81,;42.31,-8.46,;43.62,-9.25,;44.97,-8.5,;44.99,-6.96,;46.34,-6.21,;43.68,-6.18,;42.34,-6.92,;41.02,-6.13,;39.68,-6.86,;38.36,-6.05,;38.4,-4.51,;39.75,-3.78,;37.07,-5.3,;37.28,-3.44,;43.7,-4.64,;45.05,-3.89,;42.16,-4.67,;42.88,-3.32,)| Show InChI InChI=1S/C49H51N9O22P2S2.C6H15N/c50-35-16-14-32-39(33-15-17-36(51)45(84(73,74)75)43(33)79-42(32)44(35)83(70,71)72)31-13-12-29(23-34(31)48(62)63)46(61)52-19-5-1-2-6-20-57-24-30(54-56-57)11-4-3-8-27-9-7-10-28(22-27)25-76-55-38-18-21-58(49(64)53-38)47-41(60)40(59)37(78-47)26-77-82(68,69)80-81(65,66)67;1-4-7(5-2)6-3/h7,9-10,12-18,21-24,37,40-41,47,50,59-60H,1-2,4-6,11,19-20,25-26,51H2,(H,52,61)(H,62,63)(H,68,69)(H,53,55,64)(H2,65,66,67)(H,70,71,72)(H,73,74,75);4-6H2,1-3H3/t37-,40-,41-,47-;/m1./s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphat...				Medchemcomm 4: 1156-1165 (2013) Article DOI: 10.1039/c3md00132f BindingDB Entry DOI: 10.7270/Q20G3P36
					More data for this Ligand-Target Pair