Compile Data Set for Download or QSAR

Found 1738 hits with Last Name = 'mcgonagle' and Initial = 'ae'   

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))	BDBM371055 (US10239843, Example 162) Show SMILES Cc1ncc(Cn2c(=O)n(Cc3sc(C)nc3C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)s1 Show InChI InChI=1S/C23H25N5O4S3/c1-13-20(34-15(3)25-13)12-27-19-6-5-17(35(31,32)26-23(4)7-8-23)9-18(19)21(29)28(22(27)30)11-16-10-24-14(2)33-16/h5-6,9-10,26H,7-8,11-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					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	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371355 (1-[(2,4-Dimethylthiazol-5-yl)methyl]-N-[1-(fluorom...) Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CF)CC2)s1 Show InChI InChI=1S/C23H25FN6O4S2/c1-14-20(35-15(2)26-14)12-29-19-5-4-17(36(33,34)27-23(13-24)6-7-23)8-18(19)21(31)30(22(29)32)11-16-9-25-28(3)10-16/h4-5,8-10,27H,6-7,11-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371463 (N-[1-(Fluoromethyl)cyclopropyl]-3-[(1-methylpyrazo...) Show SMILES Cc1ncsc1Cn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(CF)CC1 Show InChI InChI=1S/C22H23FN6O4S2/c1-14-19(34-13-24-14)11-28-18-4-3-16(35(32,33)26-22(12-23)5-6-22)7-17(18)20(30)29(21(28)31)10-15-8-25-27(2)9-15/h3-4,7-9,13,26H,5-6,10-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371294 (N-(1-Cyanocyclopropyl)-1-[(2,4-dimethylthiazol-5-y...) Show SMILES Cc1ncc(Cn2c(=O)n(Cc3sc(C)nc3C)c3ccc(cc3c2=O)S(=O)(=O)NC2(CC2)C#N)s1 Show InChI InChI=1S/C23H22N6O4S3/c1-13-20(35-15(3)26-13)11-28-19-5-4-17(36(32,33)27-23(12-24)6-7-23)8-18(19)21(30)29(22(28)31)10-16-9-25-14(2)34-16/h4-5,8-9,27H,6-7,10-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371454 (N-[1-(Fluoromethyl)cyclopropyl]-3-[(1-methylpyrazo...) Show SMILES Cn1cc(Cn2c(=O)n(Cc3cncs3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI InChI=1S/C21H21FN6O4S2/c1-26-9-14(7-24-26)10-28-19(29)17-6-16(34(31,32)25-21(12-22)4-5-21)2-3-18(17)27(20(28)30)11-15-8-23-13-33-15/h2-3,6-9,13,25H,4-5,10-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371470 (N-[1-(Fluoromethyl)cyclopropyl]-1-[(5-methylisoxaz...) Show SMILES Cc1oncc1Cn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(CF)CC1 Show InChI InChI=1S/C22H23FN6O5S/c1-14-16(9-25-34-14)12-28-19-4-3-17(35(32,33)26-22(13-23)5-6-22)7-18(19)20(30)29(21(28)31)11-15-8-24-27(2)10-15/h3-4,7-10,26H,5-6,11-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371469 (N-[1-(Fluoromethyl)cyclopropyl]-1-(isothiazol-5-yl...) Show SMILES Cn1cc(Cn2c(=O)n(Cc3ccns3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI InChI=1S/C21H21FN6O4S2/c1-26-10-14(9-23-26)11-28-19(29)17-8-16(34(31,32)25-21(13-22)5-6-21)2-3-18(17)27(20(28)30)12-15-4-7-24-33-15/h2-4,7-10,25H,5-6,11-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371289 (1-[(2,4-Dimethylthiazol-5-yl)methyl]-7-fluoro-N-(1...) Show SMILES Cc1nc(C)c(Cn2c3cc(F)c(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)o1 Show InChI InChI=1S/C23H25FN6O5S/c1-13-19(35-14(2)26-13)12-29-18-8-17(24)20(36(33,34)27-23(3)5-6-23)7-16(18)21(31)30(22(29)32)11-15-9-25-28(4)10-15/h7-10,27H,5-6,11-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371267 (US10239843, Example 374) Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CC2)C#N)o1 Show InChI InChI=1S/C23H23N7O5S/c1-14-20(35-15(2)26-14)12-29-19-5-4-17(36(33,34)27-23(13-24)6-7-23)8-18(19)21(31)30(22(29)32)11-16-9-25-28(3)10-16/h4-5,8-10,27H,6-7,11-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371056 (US10239843, Example 163) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnc(C)n3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1 Show InChI InChI=1S/C23H26N7O4S/c1-14-9-17(28(4)26-14)13-29-20-6-5-18(35(33,34)27-23(3)7-8-23)10-19(20)21(31)30(22(29)32)12-16-11-24-15(2)25-16/h5-6,9-11,27H,7-8,12-13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371519 (N-[1-(Fluoromethyl)cyclopropyl]-1-[(1-methylpyrazo...) Show SMILES Cc1nnc(Cn2c(=O)n(Cc3cnn(C)c3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)s1 Show InChI InChI=1S/C21H22FN7O4S2/c1-13-24-25-18(34-13)11-29-19(30)16-7-15(35(32,33)26-21(12-22)5-6-21)3-4-17(16)28(20(29)31)10-14-8-23-27(2)9-14/h3-4,7-9,26H,5-6,10-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371506 (1-[(2,4-Dimethylthiazol-5-yl)methyl]-N-[1-(fluorom...) Show SMILES Cc1cc(Cn2c(=O)n(Cc3sc(C)nc3C)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)on1 Show InChI InChI=1S/C23H24FN5O5S2/c1-13-8-16(34-26-13)10-29-21(30)18-9-17(36(32,33)27-23(12-24)6-7-23)4-5-19(18)28(22(29)31)11-20-14(2)25-15(3)35-20/h4-5,8-9,27H,6-7,10-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371066 (US10239843, Example 173) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1 Show InChI InChI=1S/C23H27N7O4S/c1-15-9-17(28(4)25-15)14-29-20-6-5-18(35(33,34)26-23(2)7-8-23)10-19(20)21(31)30(22(29)32)13-16-11-24-27(3)12-16/h5-6,9-12,26H,7-8,13-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371479 (N-[1-(Fluoromethyl)cyclopropyl]-1-[(3-methylimidaz...) Show SMILES Cn1cc(Cn2c(=O)n(Cc3cncn3C)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI InChI=1S/C22H24FN7O4S/c1-27-14-24-9-16(27)12-29-19-4-3-17(35(33,34)26-22(13-23)5-6-22)7-18(19)20(31)30(21(29)32)11-15-8-25-28(2)10-15/h3-4,7-10,14,26H,5-6,11-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371268 (US10239843, Example 375) Show SMILES Cc1ncc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CC2)C#N)o1 Show InChI InChI=1S/C22H21N7O5S/c1-14-24-9-16(34-14)12-28-19-4-3-17(35(32,33)26-22(13-23)5-6-22)7-18(19)20(30)29(21(28)31)11-15-8-25-27(2)10-15/h3-4,7-10,26H,5-6,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371330 (1-[(2,5-Dimethylpyrazol-3-yl)methyl]-N-[1-(fluorom...) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CF)CC2)n(C)n1 Show InChI InChI=1S/C23H26FN7O4S/c1-15-8-17(29(3)26-15)13-30-20-5-4-18(36(34,35)27-23(14-24)6-7-23)9-19(20)21(32)31(22(30)33)12-16-10-25-28(2)11-16/h4-5,8-11,27H,6-7,12-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371468 (N-[1-(Fluoromethyl)cyclopropyl]-1-(isothiazol-4-yl...) Show SMILES Cn1cc(Cn2c(=O)n(Cc3cnsc3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI InChI=1S/C21H21FN6O4S2/c1-26-9-14(7-23-26)10-28-19(29)17-6-16(34(31,32)25-21(13-22)4-5-21)2-3-18(17)27(20(28)30)11-15-8-24-33-12-15/h2-3,6-9,12,25H,4-5,10-11,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371284 (7-Fluoro-N-(1-methylcyclopropyl)-1-[(3-methylisoxa...) Show SMILES Cc1cc(Cn2c3cc(F)c(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C22H23FN6O5S/c1-13-6-15(34-25-13)12-28-18-8-17(23)19(35(32,33)26-22(2)4-5-22)7-16(18)20(30)29(21(28)31)11-14-9-24-27(3)10-14/h6-10,26H,4-5,11-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371334 (N-[1-(Fluoromethyl)cyclopropyl]-1-[(3-methylisoxaz...) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CF)CC2)on1 Show InChI InChI=1S/C22H23FN6O5S/c1-14-7-16(34-25-14)12-28-19-4-3-17(35(32,33)26-22(13-23)5-6-22)8-18(19)20(30)29(21(28)31)11-15-9-24-27(2)10-15/h3-4,7-10,26H,5-6,11-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371485 (N-[1-(Fluoromethyl)cyclopropyl]-3-[(1-methylpyrazo...) Show SMILES Cc1ncc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CF)CC2)s1 Show InChI InChI=1S/C22H23FN6O4S2/c1-14-24-9-16(34-14)12-28-19-4-3-17(35(32,33)26-22(13-23)5-6-22)7-18(19)20(30)29(21(28)31)11-15-8-25-27(2)10-15/h3-4,7-10,26H,5-6,11-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371281 (N-(1-Cyanocyclopropyl)-7-fluoro-3-[(1-methylpyrazo...) Show SMILES Cn1cc(Cn2c(=O)n(CC3CC3)c3cc(F)c(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1 Show InChI InChI=1S/C21H24FN5O4S/c1-21(5-6-21)24-32(30,31)18-7-15-17(8-16(18)22)26(11-13-3-4-13)20(29)27(19(15)28)12-14-9-23-25(2)10-14/h7-10,13,24H,3-6,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM205479 (PDD00017273 (4) | US20230278998, Compound PDD00017...) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1 Show InChI InChI=1S/C23H26N6O4S2/c1-14-9-16(27(4)25-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)10-19(20)21(30)29(22(28)31)13-17-11-24-15(2)34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.4	n/a
University of Manchester					Assay Description Briefly, PARG in vitro assays were conducted in a total volume of 15 μL in a standard 384-well format. A total of 5 μL of human full length...				ACS Chem Biol 11: 3179-3190 (2016) Article DOI: 10.1021/acschembio.6b00609 BindingDB Entry DOI: 10.7270/Q2BP01NJ
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371293 (N-(1-Cyanocyclopropyl)-1-[(3-methylisoxazol-5-yl)m...) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnc(C)o3)c2=O)S(=O)(=O)NC2(CC2)C#N)on1 Show InChI InChI=1S/C22H20N6O6S/c1-13-7-15(34-25-13)10-27-19-4-3-17(35(31,32)26-22(12-23)5-6-22)8-18(19)20(29)28(21(27)30)11-16-9-24-14(2)33-16/h3-4,7-9,26H,5-6,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371286 (7-Fluoro-N-(1-methylcyclopropyl)-1,3-bis[(1-methyl...) Show SMILES Cn1cc(Cn2c3cc(F)c(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)cn1 Show InChI InChI=1S/C22H24FN7O4S/c1-22(4-5-22)26-35(33,34)19-6-16-18(7-17(19)23)29(12-14-8-24-27(2)10-14)21(32)30(20(16)31)13-15-9-25-28(3)11-15/h6-11,26H,4-5,12-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371382 (1-[(2,5-Dimethylpyrazol-3-yl)methyl]-3-[(1-methylp...) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3ccn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1 Show InChI InChI=1S/C24H28N6O4S/c1-16-11-18(28(4)25-16)15-29-21-6-5-19(35(33,34)26-24(2)8-9-24)12-20(21)22(31)30(23(29)32)14-17-7-10-27(3)13-17/h5-7,10-13,26H,8-9,14-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371067 (US10239843, Example 174) Show SMILES Cn1cc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1 Show InChI InChI=1S/C21H25N5O4S/c1-21(7-8-21)23-31(29,30)16-5-6-18-17(9-16)19(27)26(13-15-10-22-24(2)11-15)20(28)25(18)12-14-3-4-14/h5-6,9-11,14,23H,3-4,7-8,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371494 (1-[(2,5-Dimethylpyrazol-3-yl)methyl]-N-[1-(fluorom...) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3nnc(C)s3)c2=O)S(=O)(=O)NC2(CF)CC2)n(C)n1 Show InChI InChI=1S/C22H24FN7O4S2/c1-13-8-15(28(3)26-13)10-29-18-5-4-16(36(33,34)27-22(12-23)6-7-22)9-17(18)20(31)30(21(29)32)11-19-25-24-14(2)35-19/h4-5,8-9,27H,6-7,10-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371482 (N-[1-(Fluoromethyl)cyclopropyl]-1-[(3-methylisothi...) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CF)CC2)sn1 Show InChI InChI=1S/C22H23FN6O4S2/c1-14-7-16(34-25-14)12-28-19-4-3-17(35(32,33)26-22(13-23)5-6-22)8-18(19)20(30)29(21(28)31)11-15-9-24-27(2)10-15/h3-4,7-10,26H,5-6,11-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371481 (N-[1-(Fluoromethyl)cyclopropyl]-3-[(1-methylpyrazo...) Show SMILES Cn1cc(Cn2c(=O)n(Cc3cnnc3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371292 (N-(1-Cyanocyclopropyl)-1-(cyclopropylmethyl)-3-[(2...) Show SMILES Cc1ncc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CC2)C#N)s1 Show InChI InChI=1S/C21H21N5O4S2/c1-13-23-9-15(31-13)11-26-19(27)17-8-16(32(29,30)24-21(12-22)6-7-21)4-5-18(17)25(20(26)28)10-14-2-3-14/h4-5,8-9,14,24H,2-3,6-7,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371058 (US10239843, Example 165) Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3c(=O)n(Cc3c(C)noc3C)c2=O)S(=O)(=O)NC2(C)CC2)s1 Show InChI InChI=1S/C24H27N5O5S2/c1-13-19(15(3)34-26-13)11-29-22(30)18-10-17(36(32,33)27-24(5)8-9-24)6-7-20(18)28(23(29)31)12-21-14(2)25-16(4)35-21/h6-7,10,27H,8-9,11-12H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371439 (N-[1-(Fluoromethyl)cyclopropyl]-1-[(2-methyloxazol...) Show SMILES Cc1ncc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CF)CC2)o1 Show InChI InChI=1S/C22H23FN6O5S/c1-14-24-9-16(34-14)12-28-19-4-3-17(35(32,33)26-22(13-23)5-6-22)7-18(19)20(30)29(21(28)31)11-15-8-25-27(2)10-15/h3-4,7-10,26H,5-6,11-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371272 (US10239843, Example 379) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C22H24N6O5S/c1-14-8-16(33-24-14)13-27-19-5-4-17(34(31,32)25-22(2)6-7-22)9-18(19)20(29)28(21(27)30)12-15-10-23-26(3)11-15/h4-5,8-11,25H,6-7,12-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371101 (US10239843, Example 208) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cc(C)no3)c2=O)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C22H23N5O6S/c1-13-8-15(32-23-13)11-26-19-5-4-17(34(30,31)25-22(3)6-7-22)10-18(19)20(28)27(21(26)29)12-16-9-14(2)24-33-16/h4-5,8-10,25H,6-7,11-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241539 (CHEMBL4084845) Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction				J Med Chem 60: 7984-7999 (2017) Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371476 (N-[1-(Fluoromethyl)cyclopropyl]-1-(isoxazol-5-ylme...) Show SMILES Cn1cc(Cn2c(=O)n(Cc3ccno3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI InChI=1S/C21H21FN6O5S/c1-26-10-14(9-23-26)11-28-19(29)17-8-16(34(31,32)25-21(13-22)5-6-21)2-3-18(17)27(20(28)30)12-15-4-7-24-33-15/h2-4,7-10,25H,5-6,11-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371455 (N-[1-(Fluoromethyl)cyclopropyl]-3-[(1-methylpyrazo...) Show SMILES Cn1cc(Cn2c(=O)n(Cc3cnco3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI InChI=1S/C21H21FN6O5S/c1-26-9-14(7-24-26)10-28-19(29)17-6-16(34(31,32)25-21(12-22)4-5-21)2-3-18(17)27(20(28)30)11-15-8-23-13-33-15/h2-3,6-9,13,25H,4-5,10-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371100 (US10239843, Example 207 | US10239843, Example 285) Show SMILES Cc1cc(Cn2c(=O)n(Cc3cc(C)nn3C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C23H26N6O5S/c1-14-9-16(27(4)24-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)11-19(20)21(30)29(22(28)31)13-17-10-15(2)25-34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371507 (1-Butyl-N-[1-(fluoromethyl)cyclopropyl]-3-[(1-meth...) Show SMILES CCCCn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(CF)CC1 Show InChI InChI=1S/C21H26FN5O4S/c1-3-4-9-26-18-6-5-16(32(30,31)24-21(14-22)7-8-21)10-17(18)19(28)27(20(26)29)13-15-11-23-25(2)12-15/h5-6,10-12,24H,3-4,7-9,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371353 (1-(Cyclobutylmethyl)-N-[1-(fluoromethyl)cyclopropy...) Show SMILES Cn1cc(Cn2c(=O)n(CC3CCC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI InChI=1S/C22H26FN5O4S/c1-26-11-16(10-24-26)13-28-20(29)18-9-17(33(31,32)25-22(14-23)7-8-22)5-6-19(18)27(21(28)30)12-15-3-2-4-15/h5-6,9-11,15,25H,2-4,7-8,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM205480 (PDD00017238 (5) | US10508086, Example 90 | US10995...) Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3n(-c3ncns3)c2=O)S(=O)(=O)NC2(C)CC2)s1 Show InChI InChI=1S/C19H20N6O3S3/c1-11-16(29-12(2)22-11)9-24-14-5-4-13(31(27,28)23-19(3)6-7-19)8-15(14)25(18(24)26)17-20-10-21-30-17/h4-5,8,10,23H,6-7,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.4	n/a
University of Manchester					Assay Description Briefly, PARG in vitro assays were conducted in a total volume of 15 μL in a standard 384-well format. A total of 5 μL of human full length...				ACS Chem Biol 11: 3179-3190 (2016) Article DOI: 10.1021/acschembio.6b00609 BindingDB Entry DOI: 10.7270/Q2BP01NJ
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371310 (1-(Cyclopropylmethyl)-N-[1-(fluoromethyl)cycloprop...) Show SMILES Cn1cc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI InChI=1S/C21H24FN5O4S/c1-25-10-15(9-23-25)12-27-19(28)17-8-16(32(30,31)24-21(13-22)6-7-21)4-5-18(17)26(20(27)29)11-14-2-3-14/h4-5,8-10,14,24H,2-3,6-7,11-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50262048 (CHEMBL3134377) Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3(1-21)K4(Me1) biotin pe...				Bioorg Med Chem Lett 27: 4755-4759 (2017) Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371349 (N-(1-Cyanocyclopropyl)-1-[(1-methylpyrazol-4-yl)me...) Show SMILES Cc1ncc(Cn2c(=O)n(Cc3cnn(C)c3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CC2)C#N)s1 Show InChI InChI=1S/C22H21N7O4S2/c1-14-24-9-16(34-14)12-29-20(30)18-7-17(35(32,33)26-22(13-23)5-6-22)3-4-19(18)28(21(29)31)11-15-8-25-27(2)10-15/h3-4,7-10,26H,5-6,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371467 (1-[(3-Ethylimidazol-4-yl)methyl]-N-[1-(fluoromethy...) Show SMILES CCn1cncc1Cn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(CF)CC1 Show InChI InChI=1S/C23H26FN7O4S/c1-3-29-15-25-10-17(29)13-30-20-5-4-18(36(34,35)27-23(14-24)6-7-23)8-19(20)21(32)31(22(30)33)12-16-9-26-28(2)11-16/h4-5,8-11,15,27H,3,6-7,12-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371503 (N-[1-(Fluoromethyl)cyclopropyl]-1-isopentyl-3-[(1-...) Show SMILES CC(C)CCn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(CF)CC1 Show InChI InChI=1S/C22H28FN5O4S/c1-15(2)6-9-27-19-5-4-17(33(31,32)25-22(14-23)7-8-22)10-18(19)20(29)28(21(27)30)13-16-11-24-26(3)12-16/h4-5,10-12,15,25H,6-9,13-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371252 (US10239843, Example 359) Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(CC2)C#N)on1 Show InChI InChI=1S/C22H21N7O5S/c1-14-7-16(34-25-14)12-28-19-4-3-17(35(32,33)26-22(13-23)5-6-22)8-18(19)20(30)29(21(28)31)11-15-9-24-27(2)10-15/h3-4,7-10,26H,5-6,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase (Homo sapiens (Human))	BDBM371335 (N-[1-(Fluoromethyl)cyclopropyl]-3-[(1-methylpyrazo...) Show SMILES Cn1cc(Cn2c(=O)n(CC3CCOCC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(CF)CC2)cn1 Show InChI InChI=1S/C23H28FN5O5S/c1-27-12-17(11-25-27)14-29-21(30)19-10-18(35(32,33)26-23(15-24)6-7-23)2-3-20(19)28(22(29)31)13-16-4-8-34-9-5-16/h2-3,10-12,16,26H,4-9,13-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by ...				J Med Chem 51: 1058-62 (2008) BindingDB Entry DOI: 10.7270/Q21R6SSM
					More data for this Ligand-Target Pair

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