Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'acton' and Initial = 'b'   

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))	BDBM50508416 (CHEMBL4518815) Show SMILES Cn1ccc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)n1 Show InChI InChI=1S/C22H25N7O4S/c1-22(7-8-22)25-34(32,33)17-4-5-19-18(10-17)20(30)29(13-15-11-23-27(3)12-15)21(31)28(19)14-16-6-9-26(2)24-16/h4-6,9-12,25H,7-8,13-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human C-terminal His6-tagged PARG (1 to 976 residues) expressed in Escherichia coli BL21 (DE3) cells using 6HIS...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50508415 (CHEMBL4459798) Show SMILES Cn1ccc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CF)CC2)n1 Show InChI InChI=1S/C22H24FN7O4S/c1-27-8-5-16(25-27)13-29-19-4-3-17(35(33,34)26-22(14-23)6-7-22)9-18(19)20(31)30(21(29)32)12-15-10-24-28(2)11-15/h3-5,8-11,26H,6-7,12-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human C-terminal His6-tagged PARG (1 to 976 residues) expressed in Escherichia coli BL21 (DE3) cells using 6HIS...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50508413 (CHEMBL4459166) Show SMILES [2H]C([2H])([2H])C1(CC1)NS(=O)(=O)c1ccc2n(Cc3ccn(C)n3)c(=O)n(Cc3cnn(C)c3)c(=O)c2c1 Show InChI InChI=1S/C22H25N7O4S/c1-22(7-8-22)25-34(32,33)17-4-5-19-18(10-17)20(30)29(13-15-11-23-27(3)12-15)21(31)28(19)14-16-6-9-26(2)24-16/h4-6,9-12,25H,7-8,13-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human C-terminal His6-tagged PARG (1 to 976 residues) expressed in Escherichia coli BL21 (DE3) cells using 6HIS...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50508413 (CHEMBL4459166) Show SMILES [2H]C([2H])([2H])C1(CC1)NS(=O)(=O)c1ccc2n(Cc3ccn(C)n3)c(=O)n(Cc3cnn(C)c3)c(=O)c2c1 Show InChI InChI=1S/C22H25N7O4S/c1-22(7-8-22)25-34(32,33)17-4-5-19-18(10-17)20(30)29(13-15-11-23-27(3)12-15)21(31)28(19)14-16-6-9-26(2)24-16/h4-6,9-12,25H,7-8,13-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371184 (US10239843, Example 291) Show SMILES CCn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C19H23N5O4S/c1-4-23-16-6-5-14(29(27,28)21-19(2)7-8-19)9-15(16)17(25)24(18(23)26)12-13-10-20-22(3)11-13/h5-6,9-11,21H,4,7-8,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371331 (1-Ethyl-N-[1-(fluoromethyl)cyclopropyl]-3-[(1-meth...) Show SMILES CCn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(CF)CC1 Show InChI InChI=1S/C19H22FN5O4S/c1-3-24-16-5-4-14(30(28,29)22-19(12-20)6-7-19)8-15(16)17(26)25(18(24)27)11-13-9-21-23(2)10-13/h4-5,8-10,22H,3,6-7,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50508416 (CHEMBL4518815) Show SMILES Cn1ccc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)n1 Show InChI InChI=1S/C22H25N7O4S/c1-22(7-8-22)25-34(32,33)17-4-5-19-18(10-17)20(30)29(13-15-11-23-27(3)12-15)21(31)28(19)14-16-6-9-26(2)24-16/h4-6,9-12,25H,7-8,13-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371331 (1-Ethyl-N-[1-(fluoromethyl)cyclopropyl]-3-[(1-meth...) Show SMILES CCn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(CF)CC1 Show InChI InChI=1S/C19H22FN5O4S/c1-3-24-16-5-4-14(30(28,29)22-19(12-20)6-7-19)8-15(16)17(26)25(18(24)27)11-13-9-21-23(2)10-13/h4-5,8-10,22H,3,6-7,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human C-terminal His6-tagged PARG (1 to 976 residues) expressed in Escherichia coli BL21 (DE3) cells using 6HIS...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50508415 (CHEMBL4459798) Show SMILES Cn1ccc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CF)CC2)n1 Show InChI InChI=1S/C22H24FN7O4S/c1-27-8-5-16(25-27)13-29-19-4-3-17(35(33,34)26-22(14-23)6-7-22)9-18(19)20(31)30(21(29)32)12-15-10-24-28(2)11-15/h3-5,8-11,26H,6-7,12-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371184 (US10239843, Example 291) Show SMILES CCn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C19H23N5O4S/c1-4-23-16-6-5-14(29(27,28)21-19(2)7-8-19)9-15(16)17(25)24(18(23)26)12-13-10-20-22(3)11-13/h5-6,9-11,21H,4,7-8,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human C-terminal His6-tagged PARG (1 to 976 residues) expressed in Escherichia coli BL21 (DE3) cells using 6HIS...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371301 (N-[1-(Fluoromethyl)cyclopropyl]-1-methyl-3-[(1-met...) Show SMILES Cn1cc(Cn2c(=O)n(C)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI InChI=1S/C18H20FN5O4S/c1-22-9-12(8-20-22)10-24-16(25)14-7-13(3-4-15(14)23(2)17(24)26)29(27,28)21-18(11-19)5-6-18/h3-4,7-9,21H,5-6,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50508414 (CHEMBL4456850) Show SMILES Cn1ccc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CC2)C(F)F)n1 Show InChI InChI=1S/C22H23F2N7O4S/c1-28-8-5-15(26-28)13-30-18-4-3-16(36(34,35)27-22(6-7-22)20(23)24)9-17(18)19(32)31(21(30)33)12-14-10-25-29(2)11-14/h3-5,8-11,20,27H,6-7,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human C-terminal His6-tagged PARG (1 to 976 residues) expressed in Escherichia coli BL21 (DE3) cells using 6HIS...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371048 (US10239843, Example 155 | US10239843, Example 489) Show SMILES Cn1cc(Cn2c(=O)n(C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1 Show InChI InChI=1S/C18H21N5O4S/c1-18(6-7-18)20-28(26,27)13-4-5-15-14(8-13)16(24)23(17(25)22(15)3)11-12-9-19-21(2)10-12/h4-5,8-10,20H,6-7,11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371048 (US10239843, Example 155 | US10239843, Example 489) Show SMILES Cn1cc(Cn2c(=O)n(C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1 Show InChI InChI=1S/C18H21N5O4S/c1-18(6-7-18)20-28(26,27)13-4-5-15-14(8-13)16(24)23(17(25)22(15)3)11-12-9-19-21(2)10-12/h4-5,8-10,20H,6-7,11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human C-terminal His6-tagged PARG (1 to 976 residues) expressed in Escherichia coli BL21 (DE3) cells using 6HIS...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371301 (N-[1-(Fluoromethyl)cyclopropyl]-1-methyl-3-[(1-met...) Show SMILES Cn1cc(Cn2c(=O)n(C)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI InChI=1S/C18H20FN5O4S/c1-22-9-12(8-20-22)10-24-16(25)14-7-13(3-4-15(14)23(2)17(24)26)29(27,28)21-18(11-19)5-6-18/h3-4,7-9,21H,5-6,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human C-terminal His6-tagged PARG (1 to 976 residues) expressed in Escherichia coli BL21 (DE3) cells using 6HIS...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50508414 (CHEMBL4456850) Show SMILES Cn1ccc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CC2)C(F)F)n1 Show InChI InChI=1S/C22H23F2N7O4S/c1-28-8-5-15(26-28)13-30-18-4-3-16(36(34,35)27-22(6-7-22)20(23)24)9-17(18)19(32)31(21(30)33)12-14-10-25-29(2)11-14/h3-5,8-11,20,27H,6-7,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50508418 (CHEMBL4555002) Show SMILES CCn1c2ccc(cc2c(=O)n(Cc2cc(C)on2)c1=O)S(=O)(=O)NC1(CF)CC1 Show InChI InChI=1S/C19H21FN4O5S/c1-3-23-16-5-4-14(30(27,28)22-19(11-20)6-7-19)9-15(16)17(25)24(18(23)26)10-13-8-12(2)29-21-13/h4-5,8-9,22H,3,6-7,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human C-terminal His6-tagged PARG (1 to 976 residues) expressed in Escherichia coli BL21 (DE3) cells using 6HIS...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50508417 (CHEMBL4451386) Show SMILES Cn1ccc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CC2)C(F)(F)F)n1 Show InChI InChI=1S/C22H22F3N7O4S/c1-29-8-5-15(27-29)13-31-18-4-3-16(37(35,36)28-21(6-7-21)22(23,24)25)9-17(18)19(33)32(20(31)34)12-14-10-26-30(2)11-14/h3-5,8-11,28H,6-7,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human C-terminal His6-tagged PARG (1 to 976 residues) expressed in Escherichia coli BL21 (DE3) cells using 6HIS...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50508417 (CHEMBL4451386) Show SMILES Cn1ccc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CC2)C(F)(F)F)n1 Show InChI InChI=1S/C22H22F3N7O4S/c1-29-8-5-15(27-29)13-31-18-4-3-16(37(35,36)28-21(6-7-21)22(23,24)25)9-17(18)19(33)32(20(31)34)12-14-10-26-30(2)11-14/h3-5,8-11,28H,6-7,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50508418 (CHEMBL4555002) Show SMILES CCn1c2ccc(cc2c(=O)n(Cc2cc(C)on2)c1=O)S(=O)(=O)NC1(CF)CC1 Show InChI InChI=1S/C19H21FN4O5S/c1-3-23-16-5-4-14(30(27,28)22-19(11-20)6-7-19)9-15(16)17(25)24(18(23)26)10-13-8-12(2)29-21-13/h4-5,8-9,22H,3,6-7,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				Bioorg Med Chem Lett 29: 560-562 (2019) Article DOI: 10.1016/j.bmcl.2018.12.066 BindingDB Entry DOI: 10.7270/Q2VQ3607
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM371190 (US10239843, Example 297) Show SMILES Cn1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1 Show InChI InChI=1S/C21H25N5O5S/c1-21(5-6-21)23-32(29,30)16-3-4-18-17(7-16)19(27)26(10-14-8-22-24(2)9-14)20(28)25(18)11-15-12-31-13-15/h3-4,7-9,15,23H,5-6,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM371190 (US10239843, Example 297) Show SMILES Cn1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1 Show InChI InChI=1S/C21H25N5O5S/c1-21(5-6-21)23-32(29,30)16-3-4-18-17(7-16)19(27)26(10-14-8-22-24(2)9-14)20(28)25(18)11-15-12-31-13-15/h3-4,7-9,15,23H,5-6,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM371190 (US10239843, Example 297) Show SMILES Cn1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1 Show InChI InChI=1S/C21H25N5O5S/c1-21(5-6-21)23-32(29,30)16-3-4-18-17(7-16)19(27)26(10-14-8-22-24(2)9-14)20(28)25(18)11-15-12-31-13-15/h3-4,7-9,15,23H,5-6,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM371190 (US10239843, Example 297) Show SMILES Cn1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1 Show InChI InChI=1S/C21H25N5O5S/c1-21(5-6-21)23-32(29,30)16-3-4-18-17(7-16)19(27)26(10-14-8-22-24(2)9-14)20(28)25(18)11-15-12-31-13-15/h3-4,7-9,15,23H,5-6,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM371190 (US10239843, Example 297) Show SMILES Cn1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1 Show InChI InChI=1S/C21H25N5O5S/c1-21(5-6-21)23-32(29,30)16-3-4-18-17(7-16)19(27)26(10-14-8-22-24(2)9-14)20(28)25(18)11-15-12-31-13-15/h3-4,7-9,15,23H,5-6,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of CYP1A (unknown origin)				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM371198 (US10239843, Example 305) Show SMILES Cc1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C21H24N4O6S/c1-13-7-15(31-22-13)10-25-19(26)17-8-16(32(28,29)23-21(2)5-6-21)3-4-18(17)24(20(25)27)9-14-11-30-12-14/h3-4,7-8,14,23H,5-6,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM371198 (US10239843, Example 305) Show SMILES Cc1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C21H24N4O6S/c1-13-7-15(31-22-13)10-25-19(26)17-8-16(32(28,29)23-21(2)5-6-21)3-4-18(17)24(20(25)27)9-14-11-30-12-14/h3-4,7-8,14,23H,5-6,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of CYP1A (unknown origin)				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM371198 (US10239843, Example 305) Show SMILES Cc1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C21H24N4O6S/c1-13-7-15(31-22-13)10-25-19(26)17-8-16(32(28,29)23-21(2)5-6-21)3-4-18(17)24(20(25)27)9-14-11-30-12-14/h3-4,7-8,14,23H,5-6,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM371198 (US10239843, Example 305) Show SMILES Cc1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C21H24N4O6S/c1-13-7-15(31-22-13)10-25-19(26)17-8-16(32(28,29)23-21(2)5-6-21)3-4-18(17)24(20(25)27)9-14-11-30-12-14/h3-4,7-8,14,23H,5-6,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM371198 (US10239843, Example 305) Show SMILES Cc1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C21H24N4O6S/c1-13-7-15(31-22-13)10-25-19(26)17-8-16(32(28,29)23-21(2)5-6-21)3-4-18(17)24(20(25)27)9-14-11-30-12-14/h3-4,7-8,14,23H,5-6,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50466566 (CHEMBL4283645) Show SMILES COCCNS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 Show InChI InChI=1S/C17H15NO5S/c1-23-9-8-18-24(21,22)11-6-7-14-15(10-11)17(20)13-5-3-2-4-12(13)16(14)19/h2-7,10,18H,8-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50466567 (CHEMBL3115335) Show SMILES O=c1[nH]c2ccc(cc2c2ccccc12)S(=O)(=O)NC1CC1 Show InChI InChI=1S/C16H14N2O3S/c19-16-13-4-2-1-3-12(13)14-9-11(7-8-15(14)17-16)22(20,21)18-10-5-6-10/h1-4,7-10,18H,5-6H2,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM370932 (US10239843, Example 39) Show SMILES Cn1c(=O)n(CC#C)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C16H17N3O4S/c1-4-9-19-13-6-5-11(24(22,23)17-16(2)7-8-16)10-12(13)14(20)18(3)15(19)21/h1,5-6,10,17H,7-9H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	710	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM370977 (US10239843, Example 84) Show SMILES Cn1c(=O)n(Cc2ccncc2)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C19H20N4O4S/c1-19(7-8-19)21-28(26,27)14-3-4-16-15(11-14)17(24)22(2)18(25)23(16)12-13-5-9-20-10-6-13/h3-6,9-11,21H,7-8,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371421 (1-Methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-phena...) Show SMILES Cn1c2ccc(cc2c(=O)n(CC(=O)c2ccccc2)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C21H21N3O5S/c1-21(10-11-21)22-30(28,29)15-8-9-17-16(12-15)19(26)24(20(27)23(17)2)13-18(25)14-6-4-3-5-7-14/h3-9,12,22H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371401 (3-(Isothiazol-5-ylmethyl)-1-methyl-N-(1-methylcycl...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccns2)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C17H18N4O4S2/c1-17(6-7-17)19-27(24,25)12-3-4-14-13(9-12)15(22)21(16(23)20(14)2)10-11-5-8-18-26-11/h3-5,8-9,19H,6-7,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371110 (US10239843, Example 217) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2cnn(CC#N)c2)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C19H20N6O4S/c1-19(5-6-19)22-30(28,29)14-3-4-16-15(9-14)17(26)25(18(27)23(16)2)12-13-10-21-24(11-13)8-7-20/h3-4,9-11,22H,5-6,8,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371063 (US10239843, Example 170) Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)s1 Show InChI InChI=1S/C23H26N6O4S2/c1-14-20(34-15(2)25-14)13-28-19-6-5-17(35(32,33)26-23(3)7-8-23)9-18(19)21(30)29(22(28)31)12-16-10-24-27(4)11-16/h5-6,9-11,26H,7-8,12-13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM205478 (PDD00013907 (1)) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 Show InChI InChI=1S/C18H17NO4S/c1-18(2,3)19-24(22,23)11-8-9-14-15(10-11)17(21)13-7-5-4-6-12(13)16(14)20/h4-10,19H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM370927 (US10239843, Example 34) Show SMILES Cn1c(=O)n(CC2CCCCC2)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C20H27N3O4S/c1-20(10-11-20)21-28(26,27)15-8-9-17-16(12-15)18(24)22(2)19(25)23(17)13-14-6-4-3-5-7-14/h8-9,12,14,21H,3-7,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371198 (US10239843, Example 305) Show SMILES Cc1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C21H24N4O6S/c1-13-7-15(31-22-13)10-25-19(26)17-8-16(32(28,29)23-21(2)5-6-21)3-4-18(17)24(20(25)27)9-14-11-30-12-14/h3-4,7-8,14,23H,5-6,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured af...				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
ADP-ribosylhydrolase ARH3 (Homo sapiens (Human))	BDBM371049 (US10239843, Example 156) Show SMILES Cc1ncc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)s1 Show InChI InChI=1S/C21H24N4O4S2/c1-13-22-10-15(30-13)12-25-19(26)17-9-16(31(28,29)23-21(2)7-8-21)5-6-18(17)24(20(25)27)11-14-3-4-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length C-terminus His-tagged ARH3 expressed in Escherichia coli using Bt-NAD ribosylated PARP1 substrate after 30 mins by TR...				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371125 (3-[(2-Aminothiazol-5-yl)methyl]-1-methyl-N-(1-meth...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2cnc(N)s2)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C17H19N5O4S2/c1-17(5-6-17)20-28(25,26)11-3-4-13-12(7-11)14(23)22(16(24)21(13)2)9-10-8-19-15(18)27-10/h3-4,7-8,20H,5-6,9H2,1-2H3,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50466568 (CHEMBL4288328) Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccc(Cl)cc12 Show InChI InChI=1S/C21H13Cl3N2O4S2/c22-10-4-5-15-11(8-10)17(18-20(30)25(21(31)32-18)7-6-16(27)28)19(29)26(15)9-12-13(23)2-1-3-14(12)24/h1-5,8H,6-7,9H2,(H,27,28)/b18-17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	>7.00E+4	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50466569 (CHEMBL4291914) Show SMILES O=C1c2ccccc2C(=O)c2cc(ccc12)S(=O)(=O)NC1CCC1 Show InChI InChI=1S/C18H15NO4S/c20-17-13-6-1-2-7-14(13)18(21)16-10-12(8-9-15(16)17)24(22,23)19-11-4-3-5-11/h1-2,6-11,19H,3-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50466570 (CHEMBL4286999) Show SMILES O=C1c2ccccc2C(=O)c2cc(ccc12)S(=O)(=O)NCCC#N Show InChI InChI=1S/C17H12N2O4S/c18-8-3-9-19-24(22,23)11-6-7-14-15(10-11)17(21)13-5-2-1-4-12(13)16(14)20/h1-2,4-7,10,19H,3,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50466571 (CHEMBL4278148) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2cnc[nH]2)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C17H19N5O4S/c1-17(5-6-17)20-27(25,26)12-3-4-14-13(7-12)15(23)22(16(24)21(14)2)9-11-8-18-10-19-11/h3-4,7-8,10,20H,5-6,9H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM50466572 (CHEMBL4286783) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2cn[nH]c2)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C17H19N5O4S/c1-17(5-6-17)20-27(25,26)12-3-4-14-13(7-12)15(23)22(16(24)21(14)2)10-11-8-18-19-9-11/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371008 (US10239843, Example 115) Show SMILES Cc1noc(C)c1Cn1c(=O)n(C)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C19H22N4O5S/c1-11-15(12(2)28-20-11)10-23-17(24)14-9-13(5-6-16(14)22(4)18(23)25)29(26,27)21-19(3)7-8-19/h5-6,9,21H,7-8,10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371091 (US10239843, Example 198) Show SMILES Cc1cc(Cn2c(=O)n(CC#C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C20H20N4O5S/c1-4-9-23-17-6-5-15(30(27,28)22-20(3)7-8-20)11-16(17)18(25)24(19(23)26)12-14-10-13(2)21-29-14/h1,5-6,10-11,22H,7-9,12H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
					More data for this Ligand-Target Pair

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