Compile Data Set for Download or QSAR

Found 3292 hits with Last Name = 'roth' and Initial = 'gj'   

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
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50107746 (CHEMBL3600828) Show SMILES Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C25H23ClN2O/c26-23-9-6-21(7-10-23)22-8-12-24(27-19-22)11-3-20-4-13-25(14-5-20)29-18-17-28-15-1-2-16-28/h4-10,12-14,19H,1-2,15-18H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Antagonist activity against rat MCHR1				Bioorg Med Chem Lett 25: 3264-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.077 BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM142122 (US8933079, 149 | US8933079, 150 | US8933079, 9.1) Show SMILES COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 Show InChI InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Binding affinity to human MCH-R1 expressed in CHO/Galpha16 cells				Bioorg Med Chem Lett 25: 3275-80 (2015) Article DOI: 10.1016/j.bmcl.2015.05.065 BindingDB Entry DOI: 10.7270/Q2T43VV4
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50107817 (CHEMBL3600810) Show SMILES Fc1cc(ccc1C(=O)NCCc1ccc(CN2CCCC2)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClFN2O/c27-23-10-7-21(8-11-23)22-9-12-24(25(28)17-22)26(31)29-14-13-19-3-5-20(6-4-19)18-30-15-1-2-16-30/h3-12,17H,1-2,13-16,18H2,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt 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 Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3264-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.077 BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
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
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50107818 (CHEMBL3600811) Show SMILES Fc1cc(ccc1-c1ccc(Cl)cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C26H26ClFN2O/c27-23-10-7-21(8-11-23)24-12-9-22(17-25(24)28)26(31)29-14-13-19-3-5-20(6-4-19)18-30-15-1-2-16-30/h3-12,17H,1-2,13-16,18H2,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt 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 Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3264-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.077 BindingDB Entry DOI: 10.7270/Q25D8TMB
					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
Ataxin-1 (Homo sapiens (Human))	BDBM50557594 (CHEMBL4788435 | US11485727, Example 1.3) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50557595 (CHEMBL4745566 | US11485727, Example 1.7) Show SMILES CC(=O)N1CCN(CC1(C)C)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					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
Ataxin-1 (Homo sapiens (Human))	BDBM50557599 (CHEMBL4751395 | US11485727, Example 2.10) Show SMILES FC(F)c1ccc(COc2ccc(NCc3ccc(cc3)N3CCN(CC3)C3COC3)nn2)cn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50557597 (CHEMBL4758133 | US11485727, Example 2.6) Show SMILES CC(=O)N1CC2CC1CN2c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50557598 (CHEMBL4784419 | US11485727, Example 2.7) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)c(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					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
Ataxin-1 (Homo sapiens (Human))	BDBM50557596 (CHEMBL4743845 | US11485727, Example 2.4) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)nc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM575715 (US11465982, Example 1.15) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNC(=O)C2(CC2)c2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)cc1C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VSR
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50107760 (CHEMBL3600803) Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C27H29ClN2O/c28-26-14-12-24(13-15-26)23-8-10-25(11-9-23)27(31)29-17-16-21-4-6-22(7-5-21)20-30-18-2-1-3-19-30/h4-15H,1-3,16-20H2,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3264-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.077 BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50107761 (CHEMBL3600804) Show SMILES OCCNCc1ccc(CCNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H25ClN2O2/c25-23-11-9-21(10-12-23)20-5-7-22(8-6-20)24(29)27-14-13-18-1-3-19(4-2-18)17-26-15-16-28/h1-12,26,28H,13-17H2,(H,27,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3264-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.077 BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50107764 (CHEMBL3600807) Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1Br Show InChI InChI=1S/C26H26BrClN2O/c27-25-17-19(18-30-15-1-2-16-30)3-4-22(25)13-14-29-26(31)23-7-5-20(6-8-23)21-9-11-24(28)12-10-21/h3-12,17H,1-2,13-16,18H2,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3264-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.077 BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM579837 (US11485727, Example 2.8) Show SMILES FC(F)(F)c1ccc(COc2ccc(NCc3ccc(cc3)N3CCN(CC3)C3COC3)nn2)cn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50107733 (CHEMBL3600801) Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C26H27ClN2O/c27-25-13-11-23(12-14-25)22-7-9-24(10-8-22)26(30)28-16-15-20-3-5-21(6-4-20)19-29-17-1-2-18-29/h3-14H,1-2,15-19H2,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3264-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.077 BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM516881 (US11104665, Example 1.2) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3cncc(c3)C#N)nn2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KN7
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM191570 (US10526329, Compound 12 | US11072611, Compound 12 ...) Show SMILES CCc1nc2c(F)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H30F2N8O2S/c1-3-23-28(35(2)29-34-26(24(13-32)42-29)18-4-6-19(30)7-5-18)39-14-20(12-22(31)27(39)33-23)37-10-8-36(9-11-37)17-25(41)38-15-21(40)16-38/h4-7,12,14,21,40H,3,8-11,15-17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM191570 (US10526329, Compound 12 | US11072611, Compound 12 ...) Show SMILES CCc1nc2c(F)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H30F2N8O2S/c1-3-23-28(35(2)29-34-26(24(13-32)42-29)18-4-6-19(30)7-5-18)39-14-20(12-22(31)27(39)33-23)37-10-8-36(9-11-37)17-25(41)38-15-21(40)16-38/h4-7,12,14,21,40H,3,8-11,15-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KN7
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM516893 (US11104665, ACS Med. Chem. Lett. 2017, 8, 1252-125...) Show SMILES FC(F)(F)c1cc(COC(=O)N2C[C@H]3C(CNC(=O)c4ccc5n[nH]nc5c4)[C@H]3C2)cc(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0KN7
					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
Ataxin-1 (Homo sapiens (Human))	BDBM579844 (US11485727, Example 2.15) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)nc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM579832 (US11485727, Example 2.3) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM575719 (US11465982, Example 1.19) Show SMILES CC(=O)N1CCN(CC1(C)C)c1ccc(CNC(=O)C2(CC2)c2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM575717 (US11465982, Example 1.17) Show SMILES CC(=O)N1CC2(C1)CN(C2)c1ccc(CNC(=O)C2(CC2)c2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VSR
					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
Ataxin-1 (Homo sapiens (Human))	BDBM579830 (N-methyl-N-[1-(4-{[(6-{[6-(trifluoromethyl)pyridin...) Show SMILES CN(C1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)cc1)C(C)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					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))	BDBM575706 (US11465982, Example 1.6) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNC(=O)C2(CC2)c2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)cc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM575710 (US11465982, Example 1.10) Show SMILES FC(F)(F)c1ccc(COc2ccc(nn2)C2(CC2)C(=O)NCc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)cn1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VSR
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM579848 (US11485727, Example 2.19) Show SMILES CC(=O)N1CC2CCC(C1)N2c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM579850 (US11485727, Example 2.21) Show SMILES CC(=O)N1CC2(C1)CN(C2)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)c(F)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM579834 (US11485727, Example 2.5) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)cn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM575722 (US11465982, Example 1.22) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNC(=O)C2(CC2)c2ccc(OCc3ccc(nc3)C(F)F)nn2)c(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM575711 (US11465982, Example 1.11) Show SMILES CC(=O)N1CCC11CN(C1)c1ccc(CNC(=O)C2(CC2)c2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VSR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM575713 (US11465982, Example 1.13) Show SMILES CN1C(=O)NCC11CCN(CC1)c1ccc(CNC(=O)C2(CC2)c2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KS6VSR
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM579824 (US11485727, Example 1.2) Show SMILES CC(=O)N1CC2(C1)CN(C2)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM579853 (1-[4-(4-{[(6-{[6-(Difluoromethyl)pyridin-3-yl]meth...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM579849 (US11485727, Example 2.20) Show SMILES CC(=O)N1CC2CCC1CN2c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)(F)F)nn2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50107820 (CHEMBL3600812) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C26H27FN2O/c27-25-13-11-23(12-14-25)22-7-9-24(10-8-22)26(30)28-16-15-20-3-5-21(6-4-20)19-29-17-1-2-18-29/h3-14H,1-2,15-19H2,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt 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 Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3264-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.077 BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50107735 (CHEMBL3600815) Show SMILES CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1 Show InChI InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)	Reactome pathway KEGG UniProtKB/SwissProt 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 Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3264-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.077 BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230371 (US9340507, 29.2) Show SMILES CC(C)n1cc(C(=O)NCc2ccc3c(CCS3(=O)=O)c2)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C26H26F2N2O4S/c1-15(2)30-14-21(24(31)23(16(30)3)19-5-4-6-20(12-19)25(27)28)26(32)29-13-17-7-8-22-18(11-17)9-10-35(22,33)34/h4-8,11-12,14-15,25H,9-10,13H2,1-3H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50106487 (CHEMBL3600970) Show SMILES Clc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)cc1 Show InChI InChI=1S/C27H31ClN2/c28-26-14-12-25(13-15-26)24-10-6-22(7-11-24)5-4-18-29-27-16-8-23(9-17-27)21-30-19-2-1-3-20-30/h6-17,29H,1-5,18-21H2	Reactome pathway KEGG UniProtKB/SwissProt 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 Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3270-4 (2015) Article DOI: 10.1016/j.bmcl.2015.05.074 BindingDB Entry DOI: 10.7270/Q2MK6FN7
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50106579 (CHEMBL3601036) Show SMILES OC1CCN(Cc2ccc(NCCCc3ccc(OCc4ccccc4)nn3)cc2)CC1 Show InChI InChI=1S/C26H32N4O2/c31-25-14-17-30(18-15-25)19-21-8-10-23(11-9-21)27-16-4-7-24-12-13-26(29-28-24)32-20-22-5-2-1-3-6-22/h1-3,5-6,8-13,25,27,31H,4,7,14-20H2	Reactome pathway KEGG UniProtKB/SwissProt 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 Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3270-4 (2015) Article DOI: 10.1016/j.bmcl.2015.05.074 BindingDB Entry DOI: 10.7270/Q2MK6FN7
					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

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