Compile Data Set for Download or QSAR

Found 1706 hits with Last Name = 'hitchin' and Initial = 'jr'   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200622 (CHEMBL3917975) Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200579 (CHEMBL3917466) Show SMILES C[C@H](NC(=O)CSc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O2S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-35-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)34-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200572 (CHEMBL3889955) Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O/c1-16(18-6-10-20(26)11-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-8-19(9-5-17)25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200569 (CHEMBL3946146) Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H23ClF2N4O2/c1-16(18-6-8-19(26)9-7-18)30-23(33)13-12-22-31-21-3-2-14-29-24(21)32(22)15-17-4-10-20(11-5-17)34-25(27)28/h2-11,14,16,25H,12-13,15H2,1H3,(H,30,33)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200582 (CHEMBL3944813) Show SMILES COc1ccc(Cn2c(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)nc3cccnc23)cc1 |r| Show InChI InChI=1S/C25H25ClN4O2/c1-17(19-7-9-20(26)10-8-19)28-24(31)14-13-23-29-22-4-3-15-27-25(22)30(23)16-18-5-11-21(32-2)12-6-18/h3-12,15,17H,13-14,16H2,1-2H3,(H,28,31)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50187693 (CHEMBL3186509) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200624 (CHEMBL3912114) Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-4-6-19(26)7-5-18)31-24(34)11-10-23-32-21-12-13-30-14-22(21)33(23)15-17-2-8-20(9-3-17)35-25(27,28)29/h2-9,12-14,16H,10-11,15H2,1H3,(H,31,34)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200650 (CHEMBL3926932) Show SMILES OC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H22ClFN4O2/c25-18-7-5-17(6-8-18)21(15-31)29-23(32)12-11-22-28-20-2-1-13-27-24(20)30(22)14-16-3-9-19(26)10-4-16/h1-10,13,21,31H,11-12,14-15H2,(H,29,32)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200664 (CHEMBL3983022) Show SMILES C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H20ClF3N4O3/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-34-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)35-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					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))	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200666 (CHEMBL3916898) Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H22F2N4O/c1-16(18-6-10-20(26)11-7-18)28-23(31)13-12-22-29-21-3-2-14-27-24(21)30(22)15-17-4-8-19(25)9-5-17/h2-11,14,16H,12-13,15H2,1H3,(H,28,31)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					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))	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200578 (CHEMBL3982059) Show SMILES C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H22F4N4O2/c1-16(18-4-6-19(26)7-5-18)31-24(34)11-10-23-32-21-12-13-30-14-22(21)33(23)15-17-2-8-20(9-3-17)35-25(27,28)29/h2-9,12-14,16H,10-11,15H2,1H3,(H,31,34)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					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))	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200580 (CHEMBL3907343) Show SMILES C[C@H](NC(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H21ClFN5O/c1-15(17-6-8-18(24)9-7-17)28-23(31)27-13-21-29-20-3-2-12-26-22(20)30(21)14-16-4-10-19(25)11-5-16/h2-12,15H,13-14H2,1H3,(H2,27,28,31)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200651 (CHEMBL3964183) Show SMILES C[C@H](NC(=O)C[S+]([O-])c1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O3S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-36(34)23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)35-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-,36?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200651 (CHEMBL3964183) Show SMILES C[C@H](NC(=O)C[S+]([O-])c1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O3S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-36(34)23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)35-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-,36?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200622 (CHEMBL3917975) Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200572 (CHEMBL3889955) Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H22ClF3N4O/c1-16(18-6-10-20(26)11-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-8-19(9-5-17)25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200661 (CHEMBL3907905) Show SMILES COc1ccc(Cn2c(CCC(=O)N[C@@H](C)c3ccccc3)nc3cccnc23)cc1 |r| Show InChI InChI=1S/C25H26N4O2/c1-18(20-7-4-3-5-8-20)27-24(30)15-14-23-28-22-9-6-16-26-25(22)29(23)17-19-10-12-21(31-2)13-11-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,27,30)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					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))	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))	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200579 (CHEMBL3917466) Show SMILES C[C@H](NC(=O)CSc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20F4N4O2S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-35-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)34-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					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))	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))	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))	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))	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))	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))	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200650 (CHEMBL3926932) Show SMILES OC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H22ClFN4O2/c25-18-7-5-17(6-8-18)21(15-31)29-23(32)12-11-22-28-20-2-1-13-27-24(20)30(22)14-16-3-9-19(26)10-4-16/h1-10,13,21,31H,11-12,14-15H2,(H,29,32)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50200570 (CHEMBL3953575) Show SMILES Clc1ccc(CNC(=O)CCc2nc3cccnc3n2Cc2ccccc2)cc1 Show InChI InChI=1S/C23H21ClN4O/c24-19-10-8-17(9-11-19)15-26-22(29)13-12-21-27-20-7-4-14-25-23(20)28(21)16-18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Babraham Research Campus Curated by ChEMBL					Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...				Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1
					More data for this Ligand-Target Pair

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