Compile Data Set for Download or QSAR

Found 2598 hits with Last Name = 'nosse' and Initial = 'b'   

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
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138764 (US8877741, 2.90) Show SMILES C[C@H](NC(=O)c1sc(NC(C)=O)nc1C)c1ccc(OC2CCN(C2)c2ccc(OC[C@H]3CC3(F)F)cn2)cc1 |r| Show InChI InChI=1S/C28H31F2N5O4S/c1-16(32-26(37)25-17(2)33-27(40-25)34-18(3)36)19-4-6-21(7-5-19)39-23-10-11-35(14-23)24-9-8-22(13-31-24)38-15-20-12-28(20,29)30/h4-9,13,16,20,23H,10-12,14-15H2,1-3H3,(H,32,37)(H,33,34,36)/t16-,20+,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					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
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM186740 (US9169205, 2.32) Show SMILES C[C@H](NC(=O)c1cn[nH]c1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...				US Patent US9169205 (2015) BindingDB Entry DOI: 10.7270/Q2NP2363
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM186746 (US9169205, 2.38) Show SMILES C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r| Show InChI InChI=1S/C26H29N3O3S/c1-18(28-26(30)25-14-27-17-33-25)20-4-8-23(9-5-20)32-24-12-13-29(15-24)21-6-10-22(11-7-21)31-16-19-2-3-19/h4-11,14,17-19,24H,2-3,12-13,15-16H2,1H3,(H,28,30)/t18-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...				US Patent US9169205 (2015) BindingDB Entry DOI: 10.7270/Q2NP2363
					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
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM186750 (US9169205, 2.42) Show SMILES COCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r| Show InChI InChI=1S/C30H36N4O5S/c1-19(31-29(36)28-20(2)32-30(40-28)33-27(35)18-37-3)22-6-10-25(11-7-22)39-26-14-15-34(16-26)23-8-12-24(13-9-23)38-17-21-4-5-21/h6-13,19,21,26H,4-5,14-18H2,1-3H3,(H,31,36)(H,32,33,35)/t19-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...				US Patent US9169205 (2015) BindingDB Entry DOI: 10.7270/Q2NP2363
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138632 (US8877741, 1.110) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2F)cc1 |r| Show InChI InChI=1S/C23H27F3N4O2/c1-15(28-16(2)31)17-3-5-18(6-4-17)32-19-8-11-29(13-19)20-7-10-27-22(21(20)24)30-12-9-23(25,26)14-30/h3-7,10,15,19H,8-9,11-14H2,1-2H3,(H,28,31)/t15-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM186749 (US9169205, 2.41) Show SMILES CCC(=O)Nc1nc(C)c(s1)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r| Show InChI InChI=1S/C30H36N4O4S/c1-4-27(35)33-30-32-20(3)28(39-30)29(36)31-19(2)22-7-11-25(12-8-22)38-26-15-16-34(17-26)23-9-13-24(14-10-23)37-18-21-5-6-21/h7-14,19,21,26H,4-6,15-18H2,1-3H3,(H,31,36)(H,32,33,35)/t19-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...				US Patent US9169205 (2015) BindingDB Entry DOI: 10.7270/Q2NP2363
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138743 (US8877741, 2.69 | US8877741, 2.76) Show SMILES C[C@H](NC(=O)c1cnn(C)c1Cl)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r| Show InChI InChI=1S/C26H30ClN5O3/c1-17(30-26(33)23-14-29-31(2)25(23)27)19-5-7-21(8-6-19)35-22-10-12-32(15-22)20-9-11-28-24(13-20)34-16-18-3-4-18/h5-9,11,13-14,17-18,22H,3-4,10,12,15-16H2,1-2H3,(H,30,33)/t17-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138626 (US8877741, 1.104) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCC4(CC4)C3)c2F)cc1 |r| Show InChI InChI=1S/C25H31FN4O2/c1-17(28-18(2)31)19-3-5-20(6-4-19)32-21-8-13-29(15-21)22-7-12-27-24(23(22)26)30-14-11-25(16-30)9-10-25/h3-7,12,17,21H,8-11,13-16H2,1-2H3,(H,28,31)/t17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138674 (US8877741, 2.1 | US8877741, 524) Show SMILES C[C@H](NC(=O)c1sc(NC(C)=O)nc1C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r| Show InChI InChI=1S/C28H31F2N5O4S/c1-16(32-26(37)25-17(2)33-27(40-25)34-18(3)36)19-4-6-21(7-5-19)39-23-10-11-35(14-23)24-9-8-22(13-31-24)38-15-20-12-28(20,29)30/h4-9,13,16,20,23H,10-12,14-15H2,1-3H3,(H,32,37)(H,33,34,36)/t16-,20?,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM186619 (US9169205, 1.16) Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cc2)cc1 |r| Show InChI InChI=1S/C24H28F2N2O3/c1-16(27-17(2)29)18-3-7-22(8-4-18)31-23-11-12-28(14-23)20-5-9-21(10-6-20)30-15-19-13-24(19,25)26/h3-10,16,19,23H,11-15H2,1-2H3,(H,27,29)/t16-,19?,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...				US Patent US9169205 (2015) BindingDB Entry DOI: 10.7270/Q2NP2363
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138660 (US8877741, 1.138) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(NCC3CC3)c2Cl)cc1 |r| Show InChI InChI=1S/C23H29ClN4O2/c1-15(27-16(2)29)18-5-7-19(8-6-18)30-20-10-12-28(14-20)21-9-11-25-23(22(21)24)26-13-17-3-4-17/h5-9,11,15,17,20H,3-4,10,12-14H2,1-2H3,(H,25,26)(H,27,29)/t15-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138599 (US8877741, 1.77) Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ncc(OCC3CC3(F)F)cc2Cl)cc1 |r| Show InChI InChI=1S/C23H26ClF2N3O3/c1-14(28-15(2)30)16-3-5-18(6-4-16)32-19-7-8-29(12-19)22-21(24)9-20(11-27-22)31-13-17-10-23(17,25)26/h3-6,9,11,14,17,19H,7-8,10,12-13H2,1-2H3,(H,28,30)/t14-,17?,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					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
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM148657 (US8962641, 8.13) Show SMILES CCCN(C)c1ncc(F)c(n1)N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C22H30FN5O2/c1-5-11-27(4)22-24-13-20(23)21(26-22)28-12-10-19(14-28)30-18-8-6-17(7-9-18)15(2)25-16(3)29/h6-9,13,15,19H,5,10-12,14H2,1-4H3,(H,25,29)/t15-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8962641 (2015) BindingDB Entry DOI: 10.7270/Q2H130Q5
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138597 (US8877741, 1.75) Show SMILES CC(C)COc1cc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(F)cn1 |r| Show InChI InChI=1S/C23H30FN3O3/c1-15(2)14-29-23-11-22(21(24)12-25-23)27-10-9-20(13-27)30-19-7-5-18(6-8-19)16(3)26-17(4)28/h5-8,11-12,15-16,20H,9-10,13-14H2,1-4H3,(H,26,28)/t16-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138893 (US8877741, 9.29) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC(C)(C)C)c2)cc1 |r| Show InChI InChI=1S/C24H33N3O3/c1-17(26-18(2)28)19-6-8-21(9-7-19)30-22-11-13-27(15-22)20-10-12-25-23(14-20)29-16-24(3,4)5/h6-10,12,14,17,22H,11,13,15-16H2,1-5H3,(H,26,28)/t17-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM186730 (US9169205, 2.22) Show SMILES C[C@H](NC(=O)c1cnco1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r| Show InChI InChI=1S/C26H29N3O4/c1-18(28-26(30)25-14-27-17-32-25)20-4-8-23(9-5-20)33-24-12-13-29(15-24)21-6-10-22(11-7-21)31-16-19-2-3-19/h4-11,14,17-19,24H,2-3,12-13,15-16H2,1H3,(H,28,30)/t18-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...				US Patent US9169205 (2015) BindingDB Entry DOI: 10.7270/Q2NP2363
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138649 (US8877741, 1.127) Show SMILES COc1c(OCC2CC2)nccc1N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C24H31N3O4/c1-16(26-17(2)28)19-6-8-20(9-7-19)31-21-11-13-27(14-21)22-10-12-25-24(23(22)29-3)30-15-18-4-5-18/h6-10,12,16,18,21H,4-5,11,13-15H2,1-3H3,(H,26,28)/t16-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138642 (US8877741, 1.120) Show SMILES COc1c(OCC(C)C)nccc1N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C24H33N3O4/c1-16(2)15-30-24-23(29-5)22(10-12-25-24)27-13-11-21(14-27)31-20-8-6-19(7-9-20)17(3)26-18(4)28/h6-10,12,16-17,21H,11,13-15H2,1-5H3,(H,26,28)/t17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM148629 (US8962641, 7.53) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OC3CCCC3)c2Cl)cc1 |r| Show InChI InChI=1S/C23H29ClN4O3/c1-15(27-16(2)29)17-7-9-19(10-8-17)30-20-11-12-28(13-20)22-21(24)23(26-14-25-22)31-18-5-3-4-6-18/h7-10,14-15,18,20H,3-6,11-13H2,1-2H3,(H,27,29)/t15-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8962641 (2015) BindingDB Entry DOI: 10.7270/Q2H130Q5
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM148653 (US8962641, 8.9) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)CC2CC2)cc1 |r| Show InChI InChI=1S/C23H30FN5O2/c1-15(26-16(2)30)18-6-8-19(9-7-18)31-20-10-11-29(14-20)22-21(24)12-25-23(27-22)28(3)13-17-4-5-17/h6-9,12,15,17,20H,4-5,10-11,13-14H2,1-3H3,(H,26,30)/t15-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8962641 (2015) BindingDB Entry DOI: 10.7270/Q2H130Q5
					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
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138838 (US8877741, 5.3) Show SMILES CCC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccnc(N3CCC(F)(F)C3)c2F)cc1 |r| Show InChI InChI=1S/C24H29F3N4O2/c1-3-21(32)29-16(2)17-4-6-18(7-5-17)33-19-9-12-30(14-19)20-8-11-28-23(22(20)25)31-13-10-24(26,27)15-31/h4-8,11,16,19H,3,9-10,12-15H2,1-2H3,(H,29,32)/t16-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM148576 (US8962641, 7.1) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC3CC3)c2F)cc1 |r| Show InChI InChI=1S/C22H27FN4O3/c1-14(26-15(2)28)17-5-7-18(8-6-17)30-19-9-10-27(11-19)21-20(23)22(25-13-24-21)29-12-16-3-4-16/h5-8,13-14,16,19H,3-4,9-12H2,1-2H3,(H,26,28)/t14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8962641 (2015) BindingDB Entry DOI: 10.7270/Q2H130Q5
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM148596 (US8962641, 7.20) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC3CC3)c2Cl)cc1 |r| Show InChI InChI=1S/C22H27ClN4O3/c1-14(26-15(2)28)17-5-7-18(8-6-17)30-19-9-10-27(11-19)21-20(23)22(25-13-24-21)29-12-16-3-4-16/h5-8,13-14,16,19H,3-4,9-12H2,1-2H3,(H,26,28)/t14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8962641 (2015) BindingDB Entry DOI: 10.7270/Q2H130Q5
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM148603 (US8962641, 7.27) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OC3CCC3)c2F)cc1 |r| Show InChI InChI=1S/C22H27FN4O3/c1-14(26-15(2)28)16-6-8-18(9-7-16)29-19-10-11-27(12-19)21-20(23)22(25-13-24-21)30-17-4-3-5-17/h6-9,13-14,17,19H,3-5,10-12H2,1-2H3,(H,26,28)/t14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8962641 (2015) BindingDB Entry DOI: 10.7270/Q2H130Q5
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138972 (US8877741, 10.19) Show SMILES CCN(CC)c1nccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c1F |r| Show InChI InChI=1S/C23H31FN4O2/c1-5-27(6-2)23-22(24)21(11-13-25-23)28-14-12-20(15-28)30-19-9-7-18(8-10-19)16(3)26-17(4)29/h7-11,13,16,20H,5-6,12,14-15H2,1-4H3,(H,26,29)/t16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138880 (US8877741, 9.16) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3(C)CC3)c2)cc1 |r| Show InChI InChI=1S/C24H31N3O3/c1-17(26-18(2)28)19-4-6-21(7-5-19)30-22-9-13-27(15-22)20-8-12-25-23(14-20)29-16-24(3)10-11-24/h4-8,12,14,17,22H,9-11,13,15-16H2,1-3H3,(H,26,28)/t17-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138755 (US8877741, 2.81) Show SMILES C[C@H](NC(=O)C(F)F)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1 |r| Show InChI InChI=1S/C23H27F2N3O3/c1-15(27-23(29)22(24)25)17-4-6-19(7-5-17)31-20-9-11-28(13-20)18-8-10-26-21(12-18)30-14-16-2-3-16/h4-8,10,12,15-16,20,22H,2-3,9,11,13-14H2,1H3,(H,27,29)/t15-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138946 (US8877741, 9.82) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(OCC3CC3)c2Cl)cc1 |r| Show InChI InChI=1S/C23H28ClN3O3/c1-15(26-16(2)28)18-5-7-19(8-6-18)30-20-10-12-27(13-20)21-9-11-25-23(22(21)24)29-14-17-3-4-17/h5-9,11,15,17,20H,3-4,10,12-14H2,1-2H3,(H,26,28)/t15-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138969 (US8877741, 10.16) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N3CCCC3)c2F)cc1 |r| Show InChI InChI=1S/C23H29FN4O2/c1-16(26-17(2)29)18-5-7-19(8-6-18)30-20-10-14-28(15-20)21-9-11-25-23(22(21)24)27-12-3-4-13-27/h5-9,11,16,20H,3-4,10,12-15H2,1-2H3,(H,26,29)/t16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM138734 (US8877741, 2.60) Show SMILES C[C@H](NC(=O)C(F)F)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3(F)F)cn2)cc1 |r| Show InChI InChI=1S/C23H25F4N3O3/c1-14(29-22(31)21(24)25)15-2-4-17(5-3-15)33-19-8-9-30(12-19)20-7-6-18(11-28-20)32-13-16-10-23(16,26)27/h2-7,11,14,16,19,21H,8-10,12-13H2,1H3,(H,29,31)/t14-,16?,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
					More data for this Ligand-Target Pair

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