Compile Data Set for Download or QSAR

Found 220 hits with Last Name = 'romig' and Initial = 'h'   

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 (Rattus norvegicus)	BDBM50285776 (CHEMBL4172309) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)N1CCc2[nH]nnc2C1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r| Show InChI InChI=1S/C23H22F3N7O5/c24-23(25,26)38-20(34)14-4-12(6-27)3-13(5-14)11-37-22(36)33-8-16-15(17(16)9-33)7-28-21(35)32-2-1-18-19(10-32)30-31-29-18/h3-5,15-17H,1-2,7-11H2,(H,28,35)(H,29,30,31)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285750 (CHEMBL4173049) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]nnc2c1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r| Show InChI InChI=1S/C24H19F3N6O5/c25-24(26,27)38-22(35)15-4-12(7-28)3-13(5-15)11-37-23(36)33-9-17-16(18(17)10-33)8-29-21(34)14-1-2-19-20(6-14)31-32-30-19/h1-6,16-18H,8-11H2,(H,29,34)(H,30,31,32)/t16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285745 (CHEMBL4162641) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)\C=C\c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C23H19Cl2N3O4/c24-14-5-12(6-15(25)8-14)1-4-21(29)28-10-17-16(18(17)11-28)9-26-22(30)13-2-3-19-20(7-13)32-23(31)27-19/h1-8,16-18H,9-11H2,(H,26,30)(H,27,31)/b4-1+/t16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285744 (CHEMBL4168498) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(OC(F)(F)F)cc(c1)C#N |r| Show InChI InChI=1S/C24H19F3N4O6/c25-24(26,27)37-15-4-12(7-28)3-13(5-15)11-35-23(34)31-9-17-16(18(17)10-31)8-29-21(32)14-1-2-19-20(6-14)36-22(33)30-19/h1-6,16-18H,8-11H2,(H,29,32)(H,30,33)/t16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50285777 (CHEMBL4165749) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]nnc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15-,16-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ATX				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285748 (CHEMBL4173341) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)CCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C23H21Cl2N3O4/c24-14-5-12(6-15(25)8-14)1-4-21(29)28-10-17-16(18(17)11-28)9-26-22(30)13-2-3-19-20(7-13)32-23(31)27-19/h2-3,5-8,16-18H,1,4,9-11H2,(H,26,30)(H,27,31)/t16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285774 (CHEMBL4169550) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H19F6N3O5/c25-23(26,27)13-3-11(4-14(6-13)24(28,29)30)10-37-22(36)33-8-16-15(17(16)9-33)7-31-20(34)12-1-2-18-19(5-12)38-21(35)32-18/h1-6,15-17H,7-10H2,(H,31,34)(H,32,35)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					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
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human full length ATX expressed in HEK cells using FS-3 as substrate incubated for 15 mins followed by substrate addition measured afte...				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285751 (CHEMBL4169912) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C22H19Cl2N3O5/c23-13-3-11(4-14(24)6-13)10-31-22(30)27-8-16-15(17(16)9-27)7-25-20(28)12-1-2-18-19(5-12)32-21(29)26-18/h1-6,15-17H,7-10H2,(H,25,28)(H,26,29)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285777 (CHEMBL4165749) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]nnc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285774 (CHEMBL4169550) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H19F6N3O5/c25-23(26,27)13-3-11(4-14(6-13)24(28,29)30)10-37-22(36)33-8-16-15(17(16)9-33)7-31-20(34)12-1-2-18-19(5-12)38-21(35)32-18/h1-6,15-17H,7-10H2,(H,31,34)(H,32,35)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285773 (CHEMBL4170966) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)C1CC1c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C24H21Cl2N3O4/c25-13-3-12(4-14(26)6-13)15-7-16(15)23(31)29-9-18-17(19(18)10-29)8-27-22(30)11-1-2-20-21(5-11)33-24(32)28-20/h1-6,15-19H,7-10H2,(H,27,30)(H,28,32)/t15?,16?,17-,18-,19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285743 (CHEMBL4169136) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)NCCCc1cnn[nH]1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r| Show InChI InChI=1S/C23H24F3N7O5/c24-23(25,26)38-20(34)15-5-13(7-27)4-14(6-15)12-37-22(36)33-10-18-17(19(18)11-33)9-29-21(35)28-3-1-2-16-8-30-32-31-16/h4-6,8,17-19H,1-3,9-12H2,(H2,28,29,35)(H,30,31,32)/t17-,18-,19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285775 (CHEMBL4159308) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCC1CCCN(C1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H34N4O7/c1-26(2,3)37-25(34)29-8-4-5-15(11-29)14-35-24(33)30-12-18-17(19(18)13-30)10-27-22(31)16-6-7-20-21(9-16)36-23(32)28-20/h6-7,9,15,17-19H,4-5,8,10-14H2,1-3H3,(H,27,31)(H,28,32)/t15?,17-,18-,19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285748 (CHEMBL4173341) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)CCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C23H21Cl2N3O4/c24-14-5-12(6-15(25)8-14)1-4-21(29)28-10-17-16(18(17)11-28)9-26-22(30)13-2-3-19-20(7-13)32-23(31)27-19/h2-3,5-8,16-18H,1,4,9-11H2,(H,26,30)(H,27,31)/t16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285778 (CHEMBL4164935) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)N1CCc2c(O)noc2C1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r| Show InChI InChI=1S/C24H22F3N5O7/c25-24(26,27)38-21(34)14-4-12(6-28)3-13(5-14)11-37-23(36)32-8-17-16(18(17)9-32)7-29-22(35)31-2-1-15-19(10-31)39-30-20(15)33/h3-5,16-18H,1-2,7-11H2,(H,29,35)(H,30,33)/t16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285742 (CHEMBL4163050) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)NCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C22H20Cl2N4O4/c23-13-3-11(4-14(24)6-13)7-26-21(30)28-9-16-15(17(16)10-28)8-25-20(29)12-1-2-18-19(5-12)32-22(31)27-18/h1-6,15-17H,7-10H2,(H,25,29)(H,26,30)(H,27,31)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285750 (CHEMBL4173049) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]nnc2c1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r| Show InChI InChI=1S/C24H19F3N6O5/c25-24(26,27)38-22(35)15-4-12(7-28)3-13(5-15)11-37-23(36)33-9-17-16(18(17)10-33)8-29-21(34)14-1-2-19-20(6-14)31-32-30-19/h1-6,16-18H,8-11H2,(H,29,34)(H,30,31,32)/t16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50285777 (CHEMBL4165749) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]nnc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15-,16-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in human whole blood				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285776 (CHEMBL4172309) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)N1CCc2[nH]nnc2C1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r| Show InChI InChI=1S/C23H22F3N7O5/c24-23(25,26)38-20(34)14-4-12(6-27)3-13(5-14)11-37-22(36)33-8-16-15(17(16)9-33)7-28-21(35)32-2-1-18-19(10-32)30-31-29-18/h3-5,15-17H,1-2,7-11H2,(H,28,35)(H,29,30,31)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285775 (CHEMBL4159308) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCC1CCCN(C1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H34N4O7/c1-26(2,3)37-25(34)29-8-4-5-15(11-29)14-35-24(33)30-12-18-17(19(18)13-30)10-27-22(31)16-6-7-20-21(9-16)36-23(32)28-20/h6-7,9,15,17-19H,4-5,8,10-14H2,1-3H3,(H,27,31)(H,28,32)/t15?,17-,18-,19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285751 (CHEMBL4169912) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C22H19Cl2N3O5/c23-13-3-11(4-14(24)6-13)10-31-22(30)27-8-16-15(17(16)9-27)7-25-20(28)12-1-2-18-19(5-12)32-21(29)26-18/h1-6,15-17H,7-10H2,(H,25,28)(H,26,29)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285743 (CHEMBL4169136) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)NCCCc1cnn[nH]1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r| Show InChI InChI=1S/C23H24F3N7O5/c24-23(25,26)38-20(34)15-5-13(7-27)4-14(6-15)12-37-22(36)33-10-18-17(19(18)11-33)9-29-21(35)28-3-1-2-16-8-30-32-31-16/h4-6,8,17-19H,1-3,9-12H2,(H2,28,29,35)(H,30,31,32)/t17-,18-,19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285747 (CHEMBL4164658) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OC(C)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C23H21Cl2N3O5/c1-11(13-4-14(24)7-15(25)5-13)32-23(31)28-9-17-16(18(17)10-28)8-26-21(29)12-2-3-19-20(6-12)33-22(30)27-19/h2-7,11,16-18H,8-10H2,1H3,(H,26,29)(H,27,30)/t11?,16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285742 (CHEMBL4163050) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)NCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C22H20Cl2N4O4/c23-13-3-11(4-14(24)6-13)7-26-21(30)28-9-16-15(17(16)10-28)8-25-20(29)12-1-2-18-19(5-12)32-22(31)27-18/h1-6,15-17H,7-10H2,(H,25,29)(H,26,30)(H,27,31)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285749 (CHEMBL4174042) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 |r| Show InChI InChI=1S/C24H22Cl2N4O4/c25-14-5-13-9-29(4-3-15(13)19(26)7-14)24(33)30-10-17-16(18(17)11-30)8-27-22(31)12-1-2-20-21(6-12)34-23(32)28-20/h1-2,5-7,16-18H,3-4,8-11H2,(H,27,31)(H,28,32)/t16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285744 (CHEMBL4168498) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(OC(F)(F)F)cc(c1)C#N |r| Show InChI InChI=1S/C24H19F3N4O6/c25-24(26,27)37-15-4-12(7-28)3-13(5-15)11-35-23(34)31-9-17-16(18(17)10-31)8-29-21(32)14-1-2-19-20(6-14)36-22(33)30-19/h1-6,16-18H,8-11H2,(H,29,32)(H,30,33)/t16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285777 (CHEMBL4165749) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]nnc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285747 (CHEMBL4164658) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OC(C)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C23H21Cl2N3O5/c1-11(13-4-14(24)7-15(25)5-13)32-23(31)28-9-17-16(18(17)10-28)8-26-21(29)12-2-3-19-20(6-12)33-22(30)27-19/h2-7,11,16-18H,8-10H2,1H3,(H,26,29)(H,27,30)/t11?,16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	307	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50042590 (CHEMBL3353863) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1 |r| Show InChI InChI=1S/C18H22ClN3O2/c1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 25: 581-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.019 BindingDB Entry DOI: 10.7270/Q2CN75H1
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285772 (CHEMBL4171105) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1ccc(C)cn1 |r| Show InChI InChI=1S/C22H22N4O5/c1-12-2-4-14(23-7-12)11-30-22(29)26-9-16-15(17(16)10-26)8-24-20(27)13-3-5-18-19(6-13)31-21(28)25-18/h2-7,15-17H,8-11H2,1H3,(H,24,27)(H,25,28)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285772 (CHEMBL4171105) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1ccc(C)cn1 |r| Show InChI InChI=1S/C22H22N4O5/c1-12-2-4-14(23-7-12)11-30-22(29)26-9-16-15(17(16)10-26)8-24-20(27)13-3-5-18-19(6-13)31-21(28)25-18/h2-7,15-17H,8-11H2,1H3,(H,24,27)(H,25,28)/t15-,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285746 (CHEMBL4162674) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(C)on1 |r| Show InChI InChI=1S/C20H20N4O6/c1-10-4-12(23-30-10)9-28-20(27)24-7-14-13(15(14)8-24)6-21-18(25)11-2-3-16-17(5-11)29-19(26)22-16/h2-5,13-15H,6-9H2,1H3,(H,21,25)(H,22,26)/t13-,14-,15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285745 (CHEMBL4162641) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)\C=C\c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C23H19Cl2N3O4/c24-14-5-12(6-15(25)8-14)1-4-21(29)28-10-17-16(18(17)11-28)9-26-22(30)13-2-3-19-20(7-13)32-23(31)27-19/h1-8,16-18H,9-11H2,(H,26,30)(H,27,31)/b4-1+/t16-,17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM50285773 (CHEMBL4170966) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)C1CC1c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C24H21Cl2N3O4/c25-13-3-12(4-14(26)6-13)15-7-16(15)23(31)29-9-18-17(19(18)10-29)8-27-22(30)11-1-2-20-21(5-11)33-24(32)28-20/h1-6,15-19H,7-10H2,(H,27,30)(H,28,32)/t15?,16?,17-,18-,19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50042591 (CHEMBL3353862) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)no1 |r| Show InChI InChI=1S/C19H22F3N3O2/c1-18(2,3)15-11-16(24-27-15)23-17(26)14-5-4-10-25(14)13-8-6-12(7-9-13)19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,23,24,26)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 25: 581-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.019 BindingDB Entry DOI: 10.7270/Q2CN75H1
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50042590 (CHEMBL3353863) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1 |r| Show InChI InChI=1S/C18H22ClN3O2/c1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 25: 581-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.019 BindingDB Entry DOI: 10.7270/Q2CN75H1
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50042700 (CHEMBL3353881) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(cc2)C(F)(F)F)on1 |r| Show InChI InChI=1S/C19H20F3N3O3/c1-18(2,3)14-10-15(28-24-14)23-17(27)13-8-9-16(26)25(13)12-6-4-11(5-7-12)19(20,21)22/h4-7,10,13H,8-9H2,1-3H3,(H,23,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 25: 581-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.019 BindingDB Entry DOI: 10.7270/Q2CN75H1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50285745 (CHEMBL4162641) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)\C=C\c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C23H19Cl2N3O4/c24-14-5-12(6-15(25)8-14)1-4-21(29)28-10-17-16(18(17)11-28)9-26-22(30)13-2-3-19-20(7-13)32-23(31)27-19/h1-8,16-18H,9-11H2,(H,26,30)(H,27,31)/b4-1+/t16-,17-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50285773 (CHEMBL4170966) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)C1CC1c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C24H21Cl2N3O4/c25-13-3-12(4-14(26)6-13)15-7-16(15)23(31)29-9-18-17(19(18)10-29)8-27-22(30)11-1-2-20-21(5-11)33-24(32)28-20/h1-6,15-19H,7-10H2,(H,27,30)(H,28,32)/t15?,16?,17-,18-,19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50285774 (CHEMBL4169550) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H19F6N3O5/c25-23(26,27)13-3-11(4-14(6-13)24(28,29)30)10-37-22(36)33-8-16-15(17(16)9-33)7-31-20(34)12-1-2-18-19(5-12)38-21(35)32-18/h1-6,15-17H,7-10H2,(H,31,34)(H,32,35)/t15-,16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50285748 (CHEMBL4173341) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)CCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C23H21Cl2N3O4/c24-14-5-12(6-15(25)8-14)1-4-21(29)28-10-17-16(18(17)11-28)9-26-22(30)13-2-3-19-20(7-13)32-23(31)27-19/h2-3,5-8,16-18H,1,4,9-11H2,(H,26,30)(H,27,31)/t16-,17-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50285747 (CHEMBL4164658) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)OC(C)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C23H21Cl2N3O5/c1-11(13-4-14(24)7-15(25)5-13)32-23(31)28-9-17-16(18(17)10-28)8-26-21(29)12-2-3-19-20(6-12)33-22(30)27-19/h2-7,11,16-18H,8-10H2,1H3,(H,26,29)(H,27,30)/t11?,16-,17-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50285778 (CHEMBL4164935) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)N1CCc2c(O)noc2C1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r| Show InChI InChI=1S/C24H22F3N5O7/c25-24(26,27)38-21(34)14-4-12(6-28)3-13(5-14)11-37-23(36)32-8-17-16(18(17)9-32)7-29-22(35)31-2-1-15-19(10-31)39-30-20(15)33/h3-5,16-18H,1-2,7-11H2,(H,29,35)(H,30,33)/t16-,17-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50285743 (CHEMBL4169136) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)NCCCc1cnn[nH]1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r| Show InChI InChI=1S/C23H24F3N7O5/c24-23(25,26)38-20(34)15-5-13(7-27)4-14(6-15)12-37-22(36)33-10-18-17(19(18)11-33)9-29-21(35)28-3-1-2-16-8-30-32-31-16/h4-6,8,17-19H,1-3,9-12H2,(H2,28,29,35)(H,30,31,32)/t17-,18-,19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50285777 (CHEMBL4165749) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]nnc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15-,16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50285776 (CHEMBL4172309) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)N1CCc2[nH]nnc2C1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r| Show InChI InChI=1S/C23H22F3N7O5/c24-23(25,26)38-20(34)14-4-12(6-27)3-13(5-14)11-37-22(36)33-8-16-15(17(16)9-33)7-28-21(35)32-2-1-18-19(10-32)30-31-29-18/h3-5,15-17H,1-2,7-11H2,(H,28,35)(H,29,30,31)/t15-,16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50285750 (CHEMBL4173049) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]nnc2c1)C(=O)OCc1cc(cc(c1)C(=O)OC(F)(F)F)C#N |r| Show InChI InChI=1S/C24H19F3N6O5/c25-24(26,27)38-22(35)15-4-12(7-28)3-13(5-15)11-37-23(36)33-9-17-16(18(17)10-33)8-29-21(34)14-1-2-19-20(6-14)31-32-30-19/h1-6,16-18H,8-11H2,(H,29,34)(H,30,31,32)/t16-,17-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				ACS Med Chem Lett 8: 1252-1257 (2017) Article DOI: 10.1021/acsmedchemlett.7b00312 BindingDB Entry DOI: 10.7270/Q2T43WNV
					More data for this Ligand-Target Pair

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