Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'heidebrecht' and Initial = 't'   

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))	BDBM50501623 (CHEMBL4062929) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C36H52Cl2N2O5/c1-21(4-7-32(43)39-26-10-13-40(19-26)34(44)45-20-22-14-24(37)18-25(38)15-22)28-5-6-29-33-30(9-12-36(28,29)3)35(2)11-8-27(41)16-23(35)17-31(33)42/h14-15,18,21,23,26-31,33,41-42H,4-13,16-17,19-20H2,1-3H3,(H,39,43)/t21-,23+,26-,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Competitive inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in LPC hydrolysis measured every 30 secs for 90 mins by Lin...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 cells using FS-3 as substrate after 15 mins				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501623 (CHEMBL4062929) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C36H52Cl2N2O5/c1-21(4-7-32(43)39-26-10-13-40(19-26)34(44)45-20-22-14-24(37)18-25(38)15-22)28-5-6-29-33-30(9-12-36(28,29)3)35(2)11-8-27(41)16-23(35)17-31(33)42/h14-15,18,21,23,26-31,33,41-42H,4-13,16-17,19-20H2,1-3H3,(H,39,43)/t21-,23+,26-,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501636 (CHEMBL4093316) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCC(O)(CNC(=O)OCc2cc(Cl)cc(Cl)c2)CC1 |r| Show InChI InChI=1S/C38H56Cl2N2O6/c1-23(29-5-6-30-34-31(9-11-37(29,30)3)36(2)10-8-28(43)18-25(36)19-32(34)44)4-7-33(45)42-14-12-38(47,13-15-42)22-41-35(46)48-21-24-16-26(39)20-27(40)17-24/h16-17,20,23,25,28-32,34,43-44,47H,4-15,18-19,21-22H2,1-3H3,(H,41,46)/t23-,25+,28-,29-,30+,31+,32+,34+,36+,37-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501631 (CHEMBL4081367) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C36H52Cl2N2O5/c1-22(4-7-32(43)39-12-14-40(15-13-39)34(44)45-21-23-16-25(37)20-26(38)17-23)28-5-6-29-33-30(9-11-36(28,29)3)35(2)10-8-27(41)18-24(35)19-31(33)42/h16-17,20,22,24,27-31,33,41-42H,4-15,18-19,21H2,1-3H3/t22-,24+,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501630 (CHEMBL4105619) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCNC(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C34H50Cl2N2O5/c1-20(4-7-30(41)37-12-13-38-32(42)43-19-21-14-23(35)18-24(36)15-21)26-5-6-27-31-28(9-11-34(26,27)3)33(2)10-8-25(39)16-22(33)17-29(31)40/h14-15,18,20,22,25-29,31,39-40H,4-13,16-17,19H2,1-3H3,(H,37,41)(H,38,42)/t20-,22+,25-,26-,27+,28+,29+,31+,33+,34-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501624 (CHEMBL4090866) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NC1CC(C1)NC(=O)OCc1cc(Cl)cc(Cl)c1 |r,wU:8.8,24.28,18.19,11.11,6.6,wD:14.14,26.30,20.22,4.4,1.0,(53.49,-51.31,;51.96,-51.31,;52.86,-52.55,;51.96,-53.81,;50.5,-53.34,;50.48,-54.87,;49.16,-54.11,;49.15,-52.56,;49.16,-55.65,;50.5,-56.44,;47.82,-56.42,;46.49,-55.66,;46.48,-57.19,;45.16,-56.43,;43.83,-55.65,;42.48,-56.44,;43.83,-54.1,;45.16,-53.33,;46.49,-54.1,;46.48,-52.56,;47.82,-53.33,;47.81,-54.87,;47.82,-51.78,;49.15,-51.01,;50.5,-51.79,;50.49,-50.25,;52.43,-49.84,;51.4,-48.7,;53.93,-49.52,;54.41,-48.05,;55.91,-47.72,;56.94,-48.86,;56.38,-46.26,;57.89,-45.94,;59.17,-46.78,;60.01,-45.49,;58.72,-44.65,;61.52,-45.17,;62.55,-46.31,;62.07,-47.78,;64.06,-45.99,;65.09,-47.13,;66.59,-46.81,;67.06,-45.36,;68.56,-45.03,;69.03,-43.56,;69.6,-46.18,;69.12,-47.64,;70.15,-48.79,;67.62,-47.96,)| Show InChI InChI=1S/C36H52Cl2N2O5/c1-20(4-7-32(43)39-25-17-26(18-25)40-34(44)45-19-21-12-23(37)16-24(38)13-21)28-5-6-29-33-30(9-11-36(28,29)3)35(2)10-8-27(41)14-22(35)15-31(33)42/h12-13,16,20,22,25-31,33,41-42H,4-11,14-15,17-19H2,1-3H3,(H,39,43)(H,40,44)/t20-,22+,25?,26?,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501633 (CHEMBL4071554) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CC[C@H](C1)NC(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C36H52Cl2N2O5/c1-21(4-7-32(43)40-13-10-26(19-40)39-34(44)45-20-22-14-24(37)18-25(38)15-22)28-5-6-29-33-30(9-12-36(28,29)3)35(2)11-8-27(41)16-23(35)17-31(33)42/h14-15,18,21,23,26-31,33,41-42H,4-13,16-17,19-20H2,1-3H3,(H,39,44)/t21-,23+,26-,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	313	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501632 (CHEMBL4094214) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CC[C@@H](C1)NC(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C36H52Cl2N2O5/c1-21(4-7-32(43)40-13-10-26(19-40)39-34(44)45-20-22-14-24(37)18-25(38)15-22)28-5-6-29-33-30(9-12-36(28,29)3)35(2)11-8-27(41)16-23(35)17-31(33)42/h14-15,18,21,23,26-31,33,41-42H,4-13,16-17,19-20H2,1-3H3,(H,39,44)/t21-,23+,26+,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501629 (CHEMBL4070768) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCCNC(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C35H52Cl2N2O5/c1-21(5-8-31(42)38-13-4-14-39-33(43)44-20-22-15-24(36)19-25(37)16-22)27-6-7-28-32-29(10-12-35(27,28)3)34(2)11-9-26(40)17-23(34)18-30(32)41/h15-16,19,21,23,26-30,32,40-41H,4-14,17-18,20H2,1-3H3,(H,38,42)(H,39,43)/t21-,23+,26-,27-,28+,29+,30+,32+,34+,35-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	563	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501634 (CHEMBL4098586) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H]1CCN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C36H52Cl2N2O5/c1-21(4-7-32(43)39-26-10-13-40(19-26)34(44)45-20-22-14-24(37)18-25(38)15-22)28-5-6-29-33-30(9-12-36(28,29)3)35(2)11-8-27(41)16-23(35)17-31(33)42/h14-15,18,21,23,26-31,33,41-42H,4-13,16-17,19-20H2,1-3H3,(H,39,43)/t21-,23+,26+,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	717	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501627 (CHEMBL4085570) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCN1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C36H54Cl2N2O4/c1-23(5-4-12-39-13-15-40(16-14-39)34(43)44-22-24-17-26(37)21-27(38)18-24)29-6-7-30-33-31(9-11-36(29,30)3)35(2)10-8-28(41)19-25(35)20-32(33)42/h17-18,21,23,25,28-33,41-42H,4-16,19-20,22H2,1-3H3/t23-,25+,28-,29-,30+,31+,32+,33+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	814	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501625 (CHEMBL4101049) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NC1CN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C35H50Cl2N2O5/c1-20(4-7-31(42)38-25-17-39(18-25)33(43)44-19-21-12-23(36)16-24(37)13-21)27-5-6-28-32-29(9-11-35(27,28)3)34(2)10-8-26(40)14-22(34)15-30(32)41/h12-13,16,20,22,25-30,32,40-41H,4-11,14-15,17-19H2,1-3H3,(H,38,42)/t20-,22+,26-,27-,28+,29+,30+,32+,34+,35-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501635 (CHEMBL4083075) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCN2C(CN(Cc3cc(Cl)cc(Cl)c3)C2=O)C1 |r| Show InChI InChI=1S/C37H53Cl2N3O4/c1-22(29-5-6-30-34-31(9-11-37(29,30)3)36(2)10-8-28(43)16-24(36)17-32(34)44)4-7-33(45)40-12-13-42-27(20-40)21-41(35(42)46)19-23-14-25(38)18-26(39)15-23/h14-15,18,22,24,27-32,34,43-44H,4-13,16-17,19-21H2,1-3H3/t22-,24+,27?,28-,29-,30+,31+,32+,34+,36+,37-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501626 (CHEMBL4072603) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C38H56Cl2N2O5/c1-23(30-5-6-31-35-32(9-13-38(30,31)3)37(2)12-8-29(43)18-26(37)19-33(35)44)4-7-34(45)41-21-24-10-14-42(15-11-24)36(46)47-22-25-16-27(39)20-28(40)17-25/h16-17,20,23-24,26,29-33,35,43-44H,4-15,18-19,21-22H2,1-3H3,(H,41,45)/t23-,26+,29-,30-,31+,32+,33+,35+,37+,38-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50236230 (2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dih...) Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501620 (CHEMBL4078911) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCNC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H52N2O5/c1-22(9-12-30(39)35-17-18-36-32(40)41-21-23-7-5-4-6-8-23)26-10-11-27-31-28(14-16-34(26,27)3)33(2)15-13-25(37)19-24(33)20-29(31)38/h4-8,22,24-29,31,37-38H,9-21H2,1-3H3,(H,35,39)(H,36,40)/t22-,24+,25-,26-,27+,28+,29+,31+,33+,34-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501621 (CHEMBL4096938) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCN |r| Show InChI InChI=1S/C26H46N2O3/c1-16(4-7-23(31)28-13-12-27)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(29)14-17(25)15-22(24)30/h16-22,24,29-30H,4-15,27H2,1-3H3,(H,28,31)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501628 (CHEMBL4064007) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C36H54N2O5/c1-24(9-12-32(41)37-17-19-38(20-18-37)34(42)43-23-25-7-5-4-6-8-25)28-10-11-29-33-30(14-16-36(28,29)3)35(2)15-13-27(39)21-26(35)22-31(33)40/h4-8,24,26-31,33,39-40H,9-23H2,1-3H3/t24-,26+,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50501622 (CHEMBL4097881) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C31H45Cl2NO3/c1-18(4-7-28(37)34-17-19-12-21(32)16-22(33)13-19)24-5-6-25-29-26(9-11-31(24,25)3)30(2)10-8-23(35)14-20(30)15-27(29)36/h12-13,16,18,20,23-27,29,35-36H,4-11,14-15,17H2,1-3H3,(H,34,37)/t18-,20+,23-,24-,25+,26+,27+,29+,30+,31-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair