Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50010101   

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))	BDBM50535210 (CHEMBL4448598) Show SMILES O=C(COCCc1c[nH]nn1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1 Show InChI InChI=1S/C21H23N7O2/c29-20(13-30-6-5-17-10-23-27-26-17)28-11-16-9-22-21(25-19(16)12-28)24-18-7-14-3-1-2-4-15(14)8-18/h1-4,9-10,18H,5-8,11-13H2,(H,22,24,25)(H,23,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535213 (CHEMBL4453084) Show SMILES O=C(CCCCc1c[nH]nn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C23H27N7O/c31-22(8-4-3-7-19-14-25-29-28-19)30-10-9-21-18(15-30)13-24-23(27-21)26-20-11-16-5-1-2-6-17(16)12-20/h1-2,5-6,13-14,20H,3-4,7-12,15H2,(H,24,26,27)(H,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535210 (CHEMBL4448598) Show SMILES O=C(COCCc1c[nH]nn1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1 Show InChI InChI=1S/C21H23N7O2/c29-20(13-30-6-5-17-10-23-27-26-17)28-11-16-9-22-21(25-19(16)12-28)24-18-7-14-3-1-2-4-15(14)8-18/h1-4,9-10,18H,5-8,11-13H2,(H,22,24,25)(H,23,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535214 (CHEMBL4549771) Show SMILES O=C(CCN1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)c1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C26H25N5O3/c32-23(18-5-6-22-24(13-18)34-26(33)30-22)8-10-31-9-7-21-19(15-31)14-27-25(29-21)28-20-11-16-3-1-2-4-17(16)12-20/h1-6,13-14,20H,7-12,15H2,(H,30,33)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535215 (CHEMBL4476558) Show SMILES O=C(CCc1ccc2[nH]c(=O)oc2c1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C26H25N5O3/c32-24(8-6-16-5-7-22-23(11-16)34-26(33)30-22)31-10-9-21-19(15-31)14-27-25(29-21)28-20-12-17-3-1-2-4-18(17)13-20/h1-5,7,11,14,20H,6,8-10,12-13,15H2,(H,30,33)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535212 (CHEMBL4569141) Show SMILES Clc1ccc(CCNc2ncc3CN(CCc3n2)C(=O)CCc2ccc3[nH]c(=O)oc3c2)cc1 Show InChI InChI=1S/C25H24ClN5O3/c26-19-5-1-16(2-6-19)9-11-27-24-28-14-18-15-31(12-10-20(18)29-24)23(32)8-4-17-3-7-21-22(13-17)34-25(33)30-21/h1-3,5-7,13-14H,4,8-12,15H2,(H,30,33)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535220 (CHEMBL4454442) Show SMILES O=C(CCCCn1ccnc1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C24H28N6O/c31-23(7-3-4-10-29-12-9-25-17-29)30-11-8-22-20(16-30)15-26-24(28-22)27-21-13-18-5-1-2-6-19(18)14-21/h1-2,5-6,9,12,15,17,21H,3-4,7-8,10-11,13-14,16H2,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535215 (CHEMBL4476558) Show SMILES O=C(CCc1ccc2[nH]c(=O)oc2c1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C26H25N5O3/c32-24(8-6-16-5-7-22-23(11-16)34-26(33)30-22)31-10-9-21-19(15-31)14-27-25(29-21)28-20-12-17-3-1-2-4-18(17)13-20/h1-5,7,11,14,20H,6,8-10,12-13,15H2,(H,30,33)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535213 (CHEMBL4453084) Show SMILES O=C(CCCCc1c[nH]nn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C23H27N7O/c31-22(8-4-3-7-19-14-25-29-28-19)30-10-9-21-18(15-30)13-24-23(27-21)26-20-11-16-5-1-2-6-17(16)12-20/h1-2,5-6,13-14,20H,3-4,7-12,15H2,(H,24,26,27)(H,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535220 (CHEMBL4454442) Show SMILES O=C(CCCCn1ccnc1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C24H28N6O/c31-23(7-3-4-10-29-12-9-25-17-29)30-11-8-22-20(16-30)15-26-24(28-22)27-21-13-18-5-1-2-6-19(18)14-21/h1-2,5-6,9,12,15,17,21H,3-4,7-8,10-11,13-14,16H2,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					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	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535221 (CHEMBL4462537) Show SMILES O=C(CCCCc1c[nH]cn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C24H28N6O/c31-23(8-4-3-7-20-14-25-16-27-20)30-10-9-22-19(15-30)13-26-24(29-22)28-21-11-17-5-1-2-6-18(17)12-21/h1-2,5-6,13-14,16,21H,3-4,7-12,15H2,(H,25,27)(H,26,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535216 (CHEMBL4472840) Show SMILES CC(C)Oc1ccc(Nc2ncc3CN(CCc3n2)C(=O)CCc2ccc3[nH]c(=O)oc3c2)cc1 Show InChI InChI=1S/C26H27N5O4/c1-16(2)34-20-7-5-19(6-8-20)28-25-27-14-18-15-31(12-11-21(18)29-25)24(32)10-4-17-3-9-22-23(13-17)35-26(33)30-22/h3,5-9,13-14,16H,4,10-12,15H2,1-2H3,(H,30,33)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535219 (CHEMBL4446322) Show SMILES O=C(CCCCc1nn[nH]n1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C22H26N8O/c31-21(8-4-3-7-20-26-28-29-27-20)30-10-9-19-17(14-30)13-23-22(25-19)24-18-11-15-5-1-2-6-16(15)12-18/h1-2,5-6,13,18H,3-4,7-12,14H2,(H,23,24,25)(H,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535221 (CHEMBL4462537) Show SMILES O=C(CCCCc1c[nH]cn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C24H28N6O/c31-23(8-4-3-7-20-14-25-16-27-20)30-10-9-22-19(15-30)13-26-24(29-22)28-21-11-17-5-1-2-6-18(17)12-21/h1-2,5-6,13-14,16,21H,3-4,7-12,15H2,(H,25,27)(H,26,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535214 (CHEMBL4549771) Show SMILES O=C(CCN1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)c1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C26H25N5O3/c32-23(18-5-6-22-24(13-18)34-26(33)30-22)8-10-31-9-7-21-19(15-31)14-27-25(29-21)28-20-11-16-3-1-2-4-17(16)12-20/h1-6,13-14,20H,7-12,15H2,(H,30,33)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					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	44	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535217 (CHEMBL4458386) Show SMILES Clc1cccc(CNc2ncc3CN(CCc3n2)C(=O)CCc2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C24H22ClN5O3/c25-18-3-1-2-16(10-18)12-26-23-27-13-17-14-30(9-8-19(17)28-23)22(31)7-5-15-4-6-20-21(11-15)33-24(32)29-20/h1-4,6,10-11,13H,5,7-9,12,14H2,(H,29,32)(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535211 (CHEMBL4561467) Show SMILES O=C(CCCCc1nnc[nH]1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C23H27N7O/c31-22(8-4-3-7-21-25-15-26-29-21)30-10-9-20-18(14-30)13-24-23(28-20)27-19-11-16-5-1-2-6-17(16)12-19/h1-2,5-6,13,15,19H,3-4,7-12,14H2,(H,24,27,28)(H,25,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535216 (CHEMBL4472840) Show SMILES CC(C)Oc1ccc(Nc2ncc3CN(CCc3n2)C(=O)CCc2ccc3[nH]c(=O)oc3c2)cc1 Show InChI InChI=1S/C26H27N5O4/c1-16(2)34-20-7-5-19(6-8-20)28-25-27-14-18-15-31(12-11-21(18)29-25)24(32)10-4-17-3-9-22-23(13-17)35-26(33)30-22/h3,5-9,13-14,16H,4,10-12,15H2,1-2H3,(H,30,33)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535211 (CHEMBL4561467) Show SMILES O=C(CCCCc1nnc[nH]1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C23H27N7O/c31-22(8-4-3-7-21-25-15-26-29-21)30-10-9-20-18(14-30)13-24-23(28-20)27-19-11-16-5-1-2-6-17(16)12-19/h1-2,5-6,13,15,19H,3-4,7-12,14H2,(H,24,27,28)(H,25,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					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	100	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human whole blood assessed as reduction in LPA level after 2 hrs by LC-MS/MS analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535219 (CHEMBL4446322) Show SMILES O=C(CCCCc1nn[nH]n1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C22H26N8O/c31-21(8-4-3-7-20-26-28-29-27-20)30-10-9-19-17(14-30)13-23-22(25-19)24-18-11-15-5-1-2-6-16(15)12-18/h1-2,5-6,13,18H,3-4,7-12,14H2,(H,23,24,25)(H,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535209 (CHEMBL4456849) Show SMILES O=C(CCCCc1cc[nH]n1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C24H28N6O/c31-23(8-4-3-7-20-9-11-26-29-20)30-12-10-22-19(16-30)15-25-24(28-22)27-21-13-17-5-1-2-6-18(17)14-21/h1-2,5-6,9,11,15,21H,3-4,7-8,10,12-14,16H2,(H,26,29)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535212 (CHEMBL4569141) Show SMILES Clc1ccc(CCNc2ncc3CN(CCc3n2)C(=O)CCc2ccc3[nH]c(=O)oc3c2)cc1 Show InChI InChI=1S/C25H24ClN5O3/c26-19-5-1-16(2-6-19)9-11-27-24-28-14-18-15-31(12-10-20(18)29-24)23(32)8-4-17-3-7-21-22(13-17)34-25(33)30-21/h1-3,5-7,13-14H,4,8-12,15H2,(H,30,33)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535218 (CHEMBL4588676) Show SMILES CC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C18H20N4O/c1-12(23)22-7-6-17-15(11-22)10-19-18(21-17)20-16-8-13-4-2-3-5-14(13)9-16/h2-5,10,16H,6-9,11H2,1H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535209 (CHEMBL4456849) Show SMILES O=C(CCCCc1cc[nH]n1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C24H28N6O/c31-23(8-4-3-7-20-9-11-26-29-20)30-12-10-22-19(16-30)15-25-24(28-22)27-21-13-17-5-1-2-6-18(17)14-21/h1-2,5-6,9,11,15,21H,3-4,7-8,10,12-14,16H2,(H,26,29)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	691	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535217 (CHEMBL4458386) Show SMILES Clc1cccc(CNc2ncc3CN(CCc3n2)C(=O)CCc2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C24H22ClN5O3/c25-18-3-1-2-16(10-18)12-26-23-27-13-17-14-30(9-8-19(17)28-23)22(31)7-5-15-4-6-20-21(11-15)33-24(32)29-20/h1-4,6,10-11,13H,5,7-9,12,14H2,(H,29,32)(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	796	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50535218 (CHEMBL4588676) Show SMILES CC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Show InChI InChI=1S/C18H20N4O/c1-12(23)22-7-6-17-15(11-22)10-19-18(21-17)20-16-8-13-4-2-3-5-14(13)9-16/h2-5,10,16H,6-9,11H2,1H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis				ACS Med Chem Lett 7: 857-61 (2016) Article DOI: 10.1021/acsmedchemlett.6b00207 BindingDB Entry DOI: 10.7270/Q2KD22D0
					More data for this Ligand-Target Pair				3D Structure (crystal)