Compile Data Set for Download or QSAR

Found 3910 hits of ic50 for UniProtKB: Q13822   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM620080 (2-((2-ethyl-6-(5-fluoro-6-(3-hydroxyazetidin-1-car...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)-c1cnc(C(=O)N2CC(O)C2)c(F)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50187686 (CHEMBL3828074 | US10526329, Compound 2 | US1107261...) Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3	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	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of human ATX using FS3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence assay				J Med Chem 59: 5604-21 (2016) Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50596095 (CHEMBL5183599) Show SMILES CCn1cc(NC(=O)OCc2cc(Cl)cc(Cl)c2)c2cc(ccc12)-c1nc(CN2CCOCC2)cs1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113951 BindingDB Entry DOI: 10.7270/Q2B85D5K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50540865 (CHEMBL4640012) Show SMILES CCn1cc(NC(=O)OCc2cc(Cl)cc(Cl)c2)c2cc(ccc12)-c1nc(CN2CCN(CCO)CC2)cs1 Show InChI InChI=1S/C28H31Cl2N5O3S/c1-2-35-16-25(32-28(37)38-17-19-11-21(29)14-22(30)12-19)24-13-20(3-4-26(24)35)27-31-23(18-39-27)15-34-7-5-33(6-8-34)9-10-36/h3-4,11-14,16,18,36H,2,5-10,15,17H2,1H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human ATX pre-incubated for 45 mins before fluorogenic substrate-3 addition and measured every minute for 30 mins by fluorescence based...				J Med Chem 63: 7326-7346 (2020) Article DOI: 10.1021/acs.jmedchem.0c00506 BindingDB Entry DOI: 10.7270/Q2GM8BW0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303716 ((3S)-N-[5-[2-(4- chlorophenyyl) ethyl]isoxazol- 3-...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)C(=O)Nc1cc(CCc2ccc(Cl)cc2)on1 |r| Show InChI InChI=1S/C28H31ClN4O3/c29-23-9-4-20(5-10-23)8-13-25-17-26(31-36-25)30-28(35)22-16-27(34)33(19-22)24-11-6-21(7-12-24)18-32-14-2-1-3-15-32/h4-7,9-12,17,22H,1-3,8,13-16,18-19H2,(H,30,31,35)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM450552 (N-[(3-Chloro-4- cyanophenyl)methyl]-N- methyl-2-(4...) Show SMILES CN(Cc1ccc(C#N)c(Cl)c1)C(=O)Cn1cnc2ccc(cc2c1=O)C1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C28H28ClN5O3/c1-32(15-18-2-3-22(14-30)24(29)12-18)26(35)16-34-17-31-25-7-6-21(13-23(25)28(34)37)19-8-10-33(11-9-19)27(36)20-4-5-20/h2-3,6-7,12-13,17,19-20H,4-5,8-11,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303780 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES S.Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CC5(COC5)C4)cc3)s2)cc1 |r,$;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C27H28ClN5O3S.H2S/c28-21-6-1-18(2-7-21)5-10-23-30-31-26(37-23)29-25(35)20-11-24(34)33(13-20)22-8-3-19(4-9-22)12-32-14-27(15-32)16-36-17-27;/h1-4,6-9,20H,5,10-17H2,(H,29,31,35);1H2/t20-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303657 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN(C)C2CCOC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C27H30ClN5O3S/c1-32(23-12-13-36-17-23)15-19-4-9-22(10-5-19)33-16-20(14-25(33)34)26(35)29-27-31-30-24(37-27)11-6-18-2-7-21(28)8-3-18/h2-5,7-10,20,23H,6,11-17H2,1H3,(H,29,31,35)/t20-,23?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303658 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN(C)C2COC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C26H28ClN5O3S/c1-31(22-15-35-16-22)13-18-4-9-21(10-5-18)32-14-19(12-24(32)33)25(34)28-26-30-29-23(36-26)11-6-17-2-7-20(27)8-3-17/h2-5,7-10,19,22H,6,11-16H2,1H3,(H,28,30,34)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303659 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C26H28ClN5O3S/c27-21-6-1-18(2-7-21)5-10-23-29-30-26(36-23)28-25(34)20-15-24(33)32(17-20)22-8-3-19(4-9-22)16-31-11-13-35-14-12-31/h1-4,6-9,20H,5,10-17H2,(H,28,30,34)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303660 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN(C)C2CCOCC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C28H32ClN5O3S/c1-33(23-12-14-37-15-13-23)17-20-4-9-24(10-5-20)34-18-21(16-26(34)35)27(36)30-28-32-31-25(38-28)11-6-19-2-7-22(29)8-3-19/h2-5,7-10,21,23H,6,11-18H2,1H3,(H,30,32,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303661 ((3S)-1-[4-(azepan-1- ylmethyl)phenyl]- N-[5-[2- (4...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCCCCC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C28H32ClN5O2S/c29-23-10-5-20(6-11-23)9-14-25-31-32-28(37-25)30-27(36)22-17-26(35)34(19-22)24-12-7-21(8-13-24)18-33-15-3-1-2-4-16-33/h5-8,10-13,22H,1-4,9,14-19H2,(H,30,32,36)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303662 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCC(C)CC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C28H32ClN5O2S/c1-19-12-14-33(15-13-19)17-21-4-9-24(10-5-21)34-18-22(16-26(34)35)27(36)30-28-32-31-25(37-28)11-6-20-2-7-23(29)8-3-20/h2-5,7-10,19,22H,6,11-18H2,1H3,(H,30,32,36)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303663 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C27H30ClN5O2S/c28-22-9-4-19(5-10-22)8-13-24-30-31-27(36-24)29-26(35)21-16-25(34)33(18-21)23-11-6-20(7-12-23)17-32-14-2-1-3-15-32/h4-7,9-12,21H,1-3,8,13-18H2,(H,29,31,35)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303664 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN(C)CCOC)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C26H30ClN5O3S/c1-31(13-14-35-2)16-19-5-10-22(11-6-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(36-26)12-7-18-3-8-21(27)9-4-18/h3-6,8-11,20H,7,12-17H2,1-2H3,(H,28,30,34)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303698 (5-[2-(4- chlorophenyl)ethyl]-N-[1- [4-(morpholino-...) Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCOCC3)cc2)cc1 |$;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H28ClN5O3S/c27-20-6-1-18(2-7-20)5-10-23-29-30-26(36-23)25(34)28-21-15-24(33)32(17-21)22-8-3-19(4-9-22)16-31-11-13-35-14-12-31/h1-4,6-9,21H,5,10-17H2,(H,28,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50187688 (CHEMBL3828650 | US10913745, Example 1.11) Show SMILES [H][C@]12CN(C[C@]1([H])CN(C2)C(=O)c1ccc(c(F)c1)S(N)(=O)=O)C(=O)OCc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H21F4N3O6S/c23-18-7-14(3-6-19(18)36(27,32)33)20(30)28-8-15-10-29(11-16(15)9-28)21(31)34-12-13-1-4-17(5-2-13)35-22(24,25)26/h1-7,15-16H,8-12H2,(H2,27,32,33)/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged ATX expressed in HEK293E cells using lysophosphatidylcholine as substrate preincubated with enz...				J Med Chem 59: 5604-21 (2016) Article DOI: 10.1021/acs.jmedchem.5b01599 BindingDB Entry DOI: 10.7270/Q2BZ681D
					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	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))	BDBM258501 (US10633384, Example 1.23 | US9493486, 1.23) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)OCc1ccc(OC(F)(F)F)cc1F Show InChI InChI=1S/C23H23F4N3O6S/c24-19-11-17(36-23(25,26)27)4-1-16(19)12-35-21(32)29-9-7-22(8-10-29)13-30(14-22)20(31)15-2-5-18(6-3-15)37(28,33)34/h1-6,11H,7-10,12-14H2,(H2,28,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258574 (US10633384, Example 12.36 | US9493486, 12.36) Show SMILES Fc1cc(ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258575 (US10633384, Example 12.37 | US9493486, 12.37) Show SMILES Cc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258580 (US10633384, Example 12.42 | US9493486, 12.42) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258581 (US10633384, Example 12.43 | US9493486, 12.43) Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4[nH]nnc4C3)CC2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258585 (US10633384, 13.01 | US9493486, 13.01) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)N2CCc3[nH]nnc3C2)CC1 Show InChI InChI=1S/C22H24F4N6O4/c23-16-9-15(36-22(24,25)26)2-1-14(16)11-35-20(34)30-7-4-21(5-8-30)12-32(13-21)19(33)31-6-3-17-18(10-31)28-29-27-17/h1-2,9H,3-8,10-13H2,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258590 (US9493486, 15B) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM556734 (US11352330, Example D50) Show SMILES CC(C)(C)c1cc(Cl)c(cc1OCc1n[nH]c2cnccc12)C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8537
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM556656 (US11352330, Example B88) Show SMILES COc1cccc(c1F)-c1cc(C#N)c(Cl)cc1OCc1n[nH]c(=O)n1C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8537
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM556661 (US11352330, Example B92) Show SMILES Cc1cc(OCc2n[nH]c(=O)n2C)c(cc1Cl)-c1cc(OC2CC2)ccc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8537
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM556672 (US11352330, Example C5) Show SMILES Cc1cc(OCc2ccc(=O)[nH]n2)c(cc1Cl)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8537
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM556687 (US11352330, Example D5) Show SMILES Cc1cc(OCc2n[nH]c3ncccc23)c(cc1Cl)-c1ccno1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8537
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM556694 (US11352330, Example D12) Show SMILES CC(C)(C)c1cc(Cl)c(F)cc1OCc1n[nH]c2nc(F)ccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8537
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50540872 (CHEMBL4647222) Show SMILES CCn1cc(NC(=O)OCc2ccc(F)c(F)c2)c2cc(ccc12)-c1nc(CN2CCC(O)CC2)cs1 Show InChI InChI=1S/C27H28F2N4O3S/c1-2-33-14-24(31-27(35)36-15-17-3-5-22(28)23(29)11-17)21-12-18(4-6-25(21)33)26-30-19(16-37-26)13-32-9-7-20(34)8-10-32/h3-6,11-12,14,16,20,34H,2,7-10,13,15H2,1H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measured every 1 min for 30 mins by fluor...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116362 BindingDB Entry DOI: 10.7270/Q2XK8K9Z
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50572947 (CHEMBL4871014) Show SMILES C[C@H](N1C2CCC1CC(C2)C(O)=O)c1ccc2ccc(O[C@H]3CC[C@H](CC3)C(F)(F)F)c(c2c1)C(F)(F)F |r,wU:21.22,24.29,1.0,(69.55,-51.11,;69.5,-49.57,;70.79,-48.72,;72.16,-49.41,;72.75,-48.34,;72.21,-47.11,;70.69,-47.18,;71.98,-46.34,;73.36,-47.03,;73.44,-48.57,;74.65,-46.19,;74.56,-44.65,;76.02,-46.88,;68.17,-48.8,;68.16,-47.25,;66.82,-46.49,;65.5,-47.27,;64.16,-46.5,;62.83,-47.27,;62.83,-48.82,;61.5,-49.59,;60.16,-48.82,;58.84,-49.58,;57.5,-48.8,;57.51,-47.26,;58.85,-46.5,;60.17,-47.27,;56.18,-46.48,;56.19,-44.94,;54.84,-47.25,;54.83,-45.71,;64.17,-49.59,;65.5,-48.81,;66.84,-49.58,;64.17,-51.13,;62.84,-51.9,;65.51,-51.9,;64.16,-52.66,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ATX assessed as reduction in LPA formation using FS-3 as substrate preincubated for 30 mins followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00211 BindingDB Entry DOI: 10.7270/Q2Q81HVP
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM556539 (US11352330, Example A12) Show SMILES CC(C)c1cc(C#N)c(C)cc1OCc1n[nH]c(=O)n1C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8537
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM556564 (US11352330, Example B2) Show SMILES Cc1cc(OCc2n[nH]c(=O)n2C)c(cc1Cl)-c1ccccc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8537
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM556565 (US11352330, Example B3) Show SMILES Cc1cc(OCc2n[nH]c(=O)n2C)c(cc1Cl)-c1cccc(Cl)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8537
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM477058 (US10882857, Example 2.06 | US11673888, Example 2.0...) Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1Cc2nc(oc2C1)C(=O)N1CCC(CC1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H29F3N6O7S/c1-23(2,3)21(35)31-15-8-13(24(25,26)27)9-29-17(15)12-39-22(36)33-10-16-18(11-33)40-19(30-16)20(34)32-6-4-14(5-7-32)41(28,37)38/h8-9,14H,4-7,10-12H2,1-3H3,(H,31,35)(H2,28,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock so...				US Patent US10882857 (2021) BindingDB Entry DOI: 10.7270/Q2SQ93GX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM477062 (US10882857, Example 4 | US11673888, Example 4 | [3...) Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1Cc2nc(oc2C1)C(=O)N1CCc2[nH]nnc2C1)C(F)(F)F Show InChI InChI=1S/C24H25F3N8O5/c1-23(2,3)21(37)30-14-6-12(24(25,26)27)7-28-17(14)11-39-22(38)35-9-16-18(10-35)40-19(29-16)20(36)34-5-4-13-15(8-34)32-33-31-13/h6-7H,4-5,8-11H2,1-3H3,(H,30,37)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock so...				US Patent US10882857 (2021) BindingDB Entry DOI: 10.7270/Q2SQ93GX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM477064 (US10882857, Example 4.02 | US11673888, Example 4.0...) Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1Cc2cc(sc2C1)C(=O)N1CCC(CC1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C25H30F3N5O6S2/c1-24(2,3)22(35)31-17-9-15(25(26,27)28)10-30-18(17)13-39-23(36)33-11-14-8-19(40-20(14)12-33)21(34)32-6-4-16(5-7-32)41(29,37)38/h8-10,16H,4-7,11-13H2,1-3H3,(H,31,35)(H2,29,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock so...				US Patent US10882857 (2021) BindingDB Entry DOI: 10.7270/Q2SQ93GX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50540872 (CHEMBL4647222) Show SMILES CCn1cc(NC(=O)OCc2ccc(F)c(F)c2)c2cc(ccc12)-c1nc(CN2CCC(O)CC2)cs1 Show InChI InChI=1S/C27H28F2N4O3S/c1-2-33-14-24(31-27(35)36-15-17-3-5-22(28)23(29)11-17)21-12-18(4-6-25(21)33)26-30-19(16-37-26)13-32-9-7-20(34)8-10-32/h3-6,11-12,14,16,20,34H,2,7-10,13,15H2,1H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human ATX pre-incubated for 45 mins before fluorogenic substrate-3 addition and measured every minute for 30 mins by fluorescence based...				J Med Chem 63: 7326-7346 (2020) Article DOI: 10.1021/acs.jmedchem.0c00506 BindingDB Entry DOI: 10.7270/Q2GM8BW0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM450562 (N-Cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-[6-...) Show SMILES COCC(=O)N1CCC(CC1)c1ccc2ncn(CC(=O)N(Cc3ccc(Cl)c(Cl)c3)C3CC3)c(=O)c2c1 Show InChI InChI=1S/C28H30Cl2N4O4/c1-38-16-27(36)32-10-8-19(9-11-32)20-3-7-25-22(13-20)28(37)33(17-31-25)15-26(35)34(21-4-5-21)14-18-2-6-23(29)24(30)12-18/h2-3,6-7,12-13,17,19,21H,4-5,8-11,14-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM450575 (N-[(3-Chloro-4- cyanophenyl)methyl]-N- methyl-2-(4...) Show SMILES CO[C@@H](C)C(=O)N1CCC(CC1)c1ccc2ncn(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H30ClN5O4/c1-18(38-3)27(36)33-10-8-20(9-11-33)21-6-7-25-23(13-21)28(37)34(17-31-25)16-26(35)32(2)15-19-4-5-22(14-30)24(29)12-19/h4-7,12-13,17-18,20H,8-11,15-16H2,1-3H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM450579 (2-[6-(1-tert-Butoxycarbonyl-4- piperidyl)-4-oxoqui...) Show SMILES CC(=O)N1CCC(CC1)c1ccc2ncn(CC(=O)NCc3ccc(Cl)c(c3)C(F)(F)F)c(=O)c2c1 Show InChI InChI=1S/C25H24ClF3N4O3/c1-15(34)32-8-6-17(7-9-32)18-3-5-22-19(11-18)24(36)33(14-31-22)13-23(35)30-12-16-2-4-21(26)20(10-16)25(27,28)29/h2-5,10-11,14,17H,6-9,12-13H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM450603 (2-[6-(1-Acetylpiperidin-4-yl)-8-fluoro-4-oxoquinaz...) Show SMILES CN(Cc1ccc(C#N)c(Cl)c1)C(=O)Cn1cnc2c(F)cc(cc2c1=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H25ClFN5O3/c1-16(34)32-7-5-18(6-8-32)20-10-21-25(23(28)11-20)30-15-33(26(21)36)14-24(35)31(2)13-17-3-4-19(12-29)22(27)9-17/h3-4,9-11,15,18H,5-8,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM450604 (N-[(3-Chloro-4-cyanophenyl)methyl]-2-[8-fluoro-6-[...) Show SMILES COCCC(=O)N1CCC(CC1)c1cc(F)c2ncn(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C28H29ClFN5O4/c1-33(15-18-3-4-20(14-31)23(29)11-18)26(37)16-35-17-32-27-22(28(35)38)12-21(13-24(27)30)19-5-8-34(9-6-19)25(36)7-10-39-2/h3-4,11-13,17,19H,5-10,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM450605 (2-[6-(1-Acetylpiperidin-4-yl)-4-oxopyrido[3,4-d]py...) Show SMILES CN(Cc1ccc(C#N)c(Cl)c1)C(=O)Cn1cnc2cnc(cc2c1=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H25ClN6O3/c1-16(33)31-7-5-18(6-8-31)22-10-20-23(12-28-22)29-15-32(25(20)35)14-24(34)30(2)13-17-3-4-19(11-27)21(26)9-17/h3-4,9-10,12,15,18H,5-8,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM450606 (N-[(3-Chloro-4-cyanophenyl)methyl]-2-[6-[1-(3-meth...) Show SMILES COCCC(=O)N1CCC(CC1)c1cc2c(cn1)ncn(CC(=O)N(C)Cc1ccc(C#N)c(Cl)c1)c2=O Show InChI InChI=1S/C27H29ClN6O4/c1-32(15-18-3-4-20(13-29)22(28)11-18)26(36)16-34-17-31-24-14-30-23(12-21(24)27(34)37)19-5-8-33(9-6-19)25(35)7-10-38-2/h3-4,11-12,14,17,19H,5-10,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM450546 (N-[(3-Chloro-4-cyanophenyl)methyl]-2-[6-[1-(2-hydr...) Show SMILES CN(Cc1ccc(C#N)c(Cl)c1)C(=O)Cn1cnc2ccc(cc2c1=O)C1CCN(CC1)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-30(13-17-2-3-20(12-28)22(27)10-17)24(34)14-32-16-29-23-5-4-19(11-21(23)26(32)36)18-6-8-31(9-7-18)25(35)15-33/h2-5,10-11,16,18,33H,6-9,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM450548 (N-[(3-Chloro-4- cyanophenyl)methyl]-N- methyl-2-(4...) Show SMILES COC(C)C(=O)N1CCC(CC1)c1ccc2ncn(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C28H30ClN5O4/c1-18(38-3)27(36)33-10-8-20(9-11-33)21-6-7-25-23(13-21)28(37)34(17-31-25)16-26(35)32(2)15-19-4-5-22(14-30)24(29)12-19/h4-7,12-13,17-18,20H,8-11,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM450549 (N-[(3-Chloro-4- cyanophenyl)methyl]-N- methyl-2-(4...) Show SMILES COCCC(=O)N1CCC(CC1)c1ccc2ncn(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C28H30ClN5O4/c1-32(16-19-3-4-22(15-30)24(29)13-19)27(36)17-34-18-31-25-6-5-21(14-23(25)28(34)37)20-7-10-33(11-8-20)26(35)9-12-38-2/h3-6,13-14,18,20H,7-12,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10676446 (2020) BindingDB Entry DOI: 10.7270/Q2445QJ0
					More data for this Ligand-Target Pair

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