Compile Data Set for Download or QSAR

Found 208 hits with Last Name = 'hoerer' and Initial = 's'   

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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329791 ((Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfona...) Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C29H33N5O4S/c1-5-30-28(35)21-11-16-24-25(19-21)32-29(36)26(24)27(20-9-7-6-8-10-20)31-22-12-14-23(15-13-22)34(39(4,37)38)18-17-33(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H,30,35)(H,32,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					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	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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329795 ((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...) Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C31H35N5O3/c1-5-32-30(38)23-12-17-26-27(20-23)34-31(39)28(26)29(22-10-7-6-8-11-22)33-24-13-15-25(16-14-24)36(21(2)37)19-9-18-35(3)4/h6-8,10-17,20,28H,5,9,18-19H2,1-4H3,(H,32,38)(H,34,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329793 ((Z)-3-((4-(N-(2-(dimethylamino)ethyl)acetamido)phe...) Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C30H33N5O3/c1-5-31-29(37)22-11-16-25-26(19-22)33-30(38)27(25)28(21-9-7-6-8-10-21)32-23-12-14-24(15-13-23)35(20(2)36)18-17-34(3)4/h6-16,19,27H,5,17-18H2,1-4H3,(H,31,37)(H,33,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329792 ((Z)-3-((4-(N-(2-(dimethylamino)ethyl)methylsulfona...) Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H35N5O4S/c1-6-34(4)30(37)22-12-17-25-26(20-22)32-29(36)27(25)28(21-10-8-7-9-11-21)31-23-13-15-24(16-14-23)35(40(5,38)39)19-18-33(2)3/h7-17,20,27H,6,18-19H2,1-5H3,(H,32,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329798 ((Z)-N-ethyl-N-methyl-3-((4-(N-methyl-2-(4-methylpi...) Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C33H38N6O3/c1-5-37(3)33(42)24-11-16-27-28(21-24)35-32(41)30(27)31(23-9-7-6-8-10-23)34-25-12-14-26(15-13-25)38(4)29(40)22-39-19-17-36(2)18-20-39/h6-16,21,30H,5,17-20,22H2,1-4H3,(H,35,41)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329794 ((Z)-3-((4-(N-(2-(dimethylamino)ethyl)acetamido)phe...) Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H35N5O3/c1-6-35(5)31(39)23-12-17-26-27(20-23)33-30(38)28(26)29(22-10-8-7-9-11-22)32-24-13-15-25(16-14-24)36(21(2)37)19-18-34(3)4/h7-17,20,28H,6,18-19H2,1-5H3,(H,33,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50272797 (CHEMBL4126886) Show SMILES CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C21H20ClFN6/c1-2-28-19-8-6-15(10-14(19)12-24-28)25-21-26-20-16(4-3-9-29(20)27-21)13-5-7-18(23)17(22)11-13/h3-5,7,9,11-12,15H,2,6,8,10H2,1H3,(H,25,27)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...				Bioorg Med Chem 26: 3227-3241 (2018) Article DOI: 10.1016/j.bmc.2018.04.053 BindingDB Entry DOI: 10.7270/Q24X5B97
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329797 ((Z)-N-ethyl-3-((4-(N-methyl-2-(4-methylpiperazin-1...) Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C32H36N6O3/c1-4-33-31(40)23-10-15-26-27(20-23)35-32(41)29(26)30(22-8-6-5-7-9-22)34-24-11-13-25(14-12-24)37(3)28(39)21-38-18-16-36(2)17-19-38/h5-15,20,29H,4,16-19,21H2,1-3H3,(H,33,40)(H,35,41)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329796 ((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...) Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C32H37N5O3/c1-6-36(5)32(40)24-13-18-27-28(21-24)34-31(39)29(27)30(23-11-8-7-9-12-23)33-25-14-16-26(17-15-25)37(22(2)38)20-10-19-35(3)4/h7-9,11-18,21,29H,6,10,19-20H2,1-5H3,(H,34,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329814 ((Z)-N-ethyl-3-((4-(N-methyl-2-(4-methylpiperazin-1...) Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C26H32N6O3/c1-4-27-25(34)18-5-10-21-22(26(35)29-23(21)15-18)16-28-19-6-8-20(9-7-19)31(3)24(33)17-32-13-11-30(2)12-14-32/h5-10,15-16,22H,4,11-14,17H2,1-3H3,(H,27,34)(H,29,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329813 ((Z)-3-((4-(N-(3-(dimethylamino)propyl)acetamido)ph...) Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C25H31N5O3/c1-5-26-24(32)18-7-12-21-22(25(33)28-23(21)15-18)16-27-19-8-10-20(11-9-19)30(17(2)31)14-6-13-29(3)4/h7-12,15-16,22H,5-6,13-14H2,1-4H3,(H,26,32)(H,28,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329799 ((Z)-3-((4-((dimethylamino)methyl)phenylamino)(phen...) Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C27H28N4O2/c1-4-28-26(32)20-12-15-22-23(16-20)30-27(33)24(22)25(19-8-6-5-7-9-19)29-21-13-10-18(11-14-21)17-31(2)3/h5-16,24H,4,17H2,1-3H3,(H,28,32)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50272769 (CHEMBL4127386) Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C21H20ClFN6/c1-2-28-19-8-6-15(10-14(19)12-24-28)25-21-26-20-16(4-3-9-29(20)27-21)13-5-7-18(23)17(22)11-13/h3-5,7,9,11-12,15H,2,6,8,10H2,1H3,(H,25,27)	PDB MMDB 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
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...				Bioorg Med Chem 26: 3227-3241 (2018) Article DOI: 10.1016/j.bmc.2018.04.053 BindingDB Entry DOI: 10.7270/Q24X5B97
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329784 ((Z)-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)...) Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C30H32N4O2/c1-2-31-29(35)23-13-16-25-26(19-23)33-30(36)27(25)28(22-9-5-3-6-10-22)32-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,2,4,7-8,17-18,20H2,1H3,(H,31,35)(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329801 ((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...) Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN(C)C)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C30H33N5O3/c1-6-34(4)30(38)21-12-17-24-25(18-21)32-29(37)27(24)28(20-10-8-7-9-11-20)31-22-13-15-23(16-14-22)35(5)26(36)19-33(2)3/h7-18,27H,6,19H2,1-5H3,(H,32,37)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50272768 (CHEMBL4129994) Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H19F3N6/c1-2-29-18-6-5-14(8-13(18)11-25-29)26-21-27-20-15(4-3-7-30(20)28-21)12-9-16(22)19(24)17(23)10-12/h3-4,7,9-11,14H,2,5-6,8H2,1H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...				Bioorg Med Chem 26: 3227-3241 (2018) Article DOI: 10.1016/j.bmc.2018.04.053 BindingDB Entry DOI: 10.7270/Q24X5B97
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329802 ((Z)-N-ethyl-3-((4-((ethylamino)methyl)phenylamino)...) Show SMILES CCNCc1ccc(cc1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:10.10| Show InChI InChI=1S/C28H30N4O2/c1-4-29-18-19-11-14-22(15-12-19)30-26(20-9-7-6-8-10-20)25-23-16-13-21(28(34)32(3)5-2)17-24(23)31-27(25)33/h6-17,25,29H,4-5,18H2,1-3H3,(H,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50279165 (CHEMBL1203982 | CHEMBL497724) Show SMILES CNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C29H30N4O2/c1-30-28(34)22-12-15-24-25(18-22)32-29(35)26(24)27(21-8-4-2-5-9-21)31-23-13-10-20(11-14-23)19-33-16-6-3-7-17-33/h2,4-5,8-15,18,26H,3,6-7,16-17,19H2,1H3,(H,30,34)(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329803 ((Z)-3-((4-(2-(diethylamino)ethylcarbamoyl)phenylam...) Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)C(=O)NCCN(CC)CC)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C31H35N5O3/c1-4-32-30(38)23-14-17-25-26(20-23)35-31(39)27(25)28(21-10-8-7-9-11-21)34-24-15-12-22(13-16-24)29(37)33-18-19-36(5-2)6-3/h7-17,20,27H,4-6,18-19H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50279164 ((3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDI...) Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,28H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	34	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair				3D Structure (crystal)
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50279163 (CHEMBL1203981 | CHEMBL496861) Show SMILES CN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C30H32N4O2/c1-33(2)30(36)23-13-16-25-26(19-23)32-29(35)27(25)28(22-9-5-3-6-10-22)31-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,27H,4,7-8,17-18,20H2,1-2H3,(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329800 ((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...) Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN(C)C)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C29H31N5O3/c1-5-30-28(36)20-11-16-23-24(17-20)32-29(37)26(23)27(19-9-7-6-8-10-19)31-21-12-14-22(15-13-21)34(4)25(35)18-33(2)3/h6-17,26H,5,18H2,1-4H3,(H,30,36)(H,32,37)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50272886 (CHEMBL4127978) Show SMILES CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C |r| Show InChI InChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...				Bioorg Med Chem 26: 3227-3241 (2018) Article DOI: 10.1016/j.bmc.2018.04.053 BindingDB Entry DOI: 10.7270/Q24X5B97
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50272887 (CHEMBL4126888) Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cncc(Cl)c1 Show InChI InChI=1S/C20H20ClN7/c1-2-27-18-6-5-16(9-14(18)11-23-27)24-20-25-19-17(4-3-7-28(19)26-20)13-8-15(21)12-22-10-13/h3-4,7-8,10-12,16H,2,5-6,9H2,1H3,(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...				Bioorg Med Chem 26: 3227-3241 (2018) Article DOI: 10.1016/j.bmc.2018.04.053 BindingDB Entry DOI: 10.7270/Q24X5B97
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50272771 (CHEMBL4128038) Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H21ClN6/c1-2-27-19-9-8-17(12-15(19)13-23-27)24-21-25-20-18(7-4-10-28(20)26-21)14-5-3-6-16(22)11-14/h3-7,10-11,13,17H,2,8-9,12H2,1H3,(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...				Bioorg Med Chem 26: 3227-3241 (2018) Article DOI: 10.1016/j.bmc.2018.04.053 BindingDB Entry DOI: 10.7270/Q24X5B97
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329805 ((Z)-3-((4-(2-(dimethylamino)ethyl)phenylamino)(phe...) Show SMILES CCNC(=O)c1ccc2C(C(=Nc3ccc(CCN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11| Show InChI InChI=1S/C28H30N4O2/c1-4-29-27(33)21-12-15-23-24(18-21)31-28(34)25(23)26(20-8-6-5-7-9-20)30-22-13-10-19(11-14-22)16-17-32(2)3/h5-15,18,25H,4,16-17H2,1-3H3,(H,29,33)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50272888 (CHEMBL4130152) Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(nc1)N(C)C Show InChI InChI=1S/C22H26N8/c1-4-29-19-9-8-17(12-16(19)14-24-29)25-22-26-21-18(6-5-11-30(21)27-22)15-7-10-20(23-13-15)28(2)3/h5-7,10-11,13-14,17H,4,8-9,12H2,1-3H3,(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...				Bioorg Med Chem 26: 3227-3241 (2018) Article DOI: 10.1016/j.bmc.2018.04.053 BindingDB Entry DOI: 10.7270/Q24X5B97
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329816 ((Z)-3-((4-(2-(dimethylamino)-N-methylacetamido)phe...) Show SMILES CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(C)C(=O)CN(C)C)C(=O)Nc2c1 |w:10.9| Show InChI InChI=1S/C23H27N5O3/c1-5-24-22(30)15-6-11-18-19(23(31)26-20(18)12-15)13-25-16-7-9-17(10-8-16)28(4)21(29)14-27(2)3/h6-13,19H,5,14H2,1-4H3,(H,24,30)(H,26,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	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 TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					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

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