Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50010675   

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
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50541116 (CHEBI:87202 | Rose bengal) Show SMILES OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 |(2.68,-2.06,;2.67,-3.09,;3.74,-3.7,;1.34,-3.85,;1.34,-5.39,;2.4,-6.01,;0,-6.16,;0,-7.39,;-1.33,-5.39,;-2.4,-6.01,;-1.33,-3.85,;-2.4,-3.23,;0,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.07,-1.39,;-4,.77,;-5.07,1.39,;-2.67,1.54,;-2.67,2.77,;-1.33,.77,;,1.54,;1.31,.77,;2.67,1.54,;2.67,2.77,;4,.77,;5.07,1.39,;4,-.77,;5.07,-1.39,;2.67,-1.54,;1.31,-.77,)| Show InChI InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115249 BindingDB Entry DOI: 10.7270/Q2XK8K38
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50541115 (CHEMBL1254258) Show SMILES OC(=O)c1c(Cl)ccc(Cl)c1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 |(16.99,3.56,;16.2,2.19,;17,.82,;14.63,2.18,;14.63,3.73,;15.96,4.51,;13.29,4.5,;11.96,3.73,;11.96,2.18,;10.62,1.42,;13.29,1.42,;13.29,-.12,;11.96,-.89,;10.64,-.12,;9.32,-.88,;7.95,-.09,;9.31,-2.41,;7.98,-3.19,;10.63,-3.18,;10.62,-4.76,;11.95,-2.42,;13.28,-3.2,;14.62,-2.42,;15.94,-3.2,;15.93,-4.78,;17.28,-2.45,;18.6,-3.23,;17.29,-.91,;18.66,-.13,;15.96,-.12,;14.63,-.88,)| Show InChI InChI=1S/C20H6Cl2I4O5/c21-7-1-2-8(22)13(20(29)30)12(7)11-5-3-9(23)16(27)14(25)18(5)31-19-6(11)4-10(24)17(28)15(19)26/h1-4,27H,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115249 BindingDB Entry DOI: 10.7270/Q2XK8K38
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50058291 (CHEBI:87193 | CHEMBL1205178) Show SMILES OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(17.43,-2.64,;16.66,-3.99,;17.43,-5.3,;15.12,-3.99,;15.12,-2.45,;16.43,-1.68,;13.77,-1.68,;13.77,-.14,;12.46,-2.45,;11.11,-1.68,;12.46,-3.99,;11.11,-4.76,;13.77,-4.76,;13.8,-6.3,;12.46,-7.07,;11.11,-6.3,;9.79,-7.1,;8.45,-6.33,;9.79,-8.64,;8,-9.7,;11.11,-9.41,;11.14,-10.95,;12.46,-8.64,;13.8,-9.41,;15.12,-8.61,;16.46,-9.38,;16.46,-10.92,;17.81,-8.61,;19.13,-9.38,;17.81,-7.07,;19.13,-6.3,;16.46,-6.3,;15.12,-7.07,)| Show InChI InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115249 BindingDB Entry DOI: 10.7270/Q2XK8K38
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50541114 (TETRAIDOFLUORESCEIN) Show SMILES OC(=O)c1ccccc1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 |(9.64,-9.16,;8.73,-7.92,;10.07,-7.15,;7.4,-7.15,;7.4,-5.61,;6.07,-4.84,;4.74,-5.61,;4.74,-7.15,;6.07,-7.92,;6.07,-9.46,;7.4,-10.23,;8.73,-9.46,;10.07,-10.23,;11.4,-9.46,;10.07,-11.77,;11.4,-12.54,;8.73,-12.54,;8.73,-14.08,;7.4,-11.77,;6.07,-12.54,;4.74,-11.77,;3.4,-12.54,;3.4,-14.08,;2.07,-11.77,;.73,-12.54,;2.07,-10.23,;.73,-9.46,;3.4,-9.46,;4.74,-10.23,)| Show InChI InChI=1S/C20H8I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115249 BindingDB Entry DOI: 10.7270/Q2XK8K38
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50206441 (2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-6H-xanthen-9...) Show SMILES OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(32.53,-16.69,;33.02,-15.23,;32,-14.07,;34.53,-14.92,;34.52,-13.38,;35.85,-12.6,;37.19,-13.36,;37.2,-14.9,;35.87,-15.67,;35.87,-17.21,;37.21,-17.96,;38.54,-17.19,;39.88,-17.94,;41.21,-17.16,;39.89,-19.5,;41.23,-20.26,;38.56,-20.28,;38.57,-21.82,;37.22,-19.51,;35.88,-20.29,;34.55,-19.52,;33.22,-20.3,;33.22,-21.84,;31.88,-19.53,;30.55,-20.3,;31.88,-17.98,;30.56,-17.2,;33.22,-17.24,;34.55,-17.98,)| Show InChI InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115249 BindingDB Entry DOI: 10.7270/Q2XK8K38
					More data for this Ligand-Target Pair