Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50046921   

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
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138164 (CHEMBL3753188) Show SMILES Cc1ccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)cc1-c1ccc(Cl)cc1C |r| Show InChI InChI=1S/C28H27ClN2O3/c1-18-4-5-20(15-25(18)24-11-8-22(29)14-19(24)2)17-34-23-9-6-21(7-10-23)26(16-27(32)33)28-30-12-13-31(28)3/h4-15,26H,16-17H2,1-3H3,(H,32,33)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	97	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50362690 (AMG-837 | CHEMBL1829173) Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H21F3O3/c1-2-4-21(16-25(30)31)20-9-13-24(14-10-20)32-17-18-5-3-6-22(15-18)19-7-11-23(12-8-19)26(27,28)29/h3,5-15,21H,16-17H2,1H3,(H,30,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138166 (CHEMBL3752487) Show SMILES Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H22Cl2N2O3/c1-30-12-11-29-26(30)23(15-25(31)32)18-5-8-21(9-6-18)33-16-17-3-2-4-19(13-17)22-10-7-20(27)14-24(22)28/h2-14,23H,15-16H2,1H3,(H,31,32)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138167 (CHEMBL3753533) Show SMILES Cc1ccc(F)cc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r| Show InChI InChI=1S/C27H25FN2O3/c1-18-6-9-22(28)15-24(18)21-5-3-4-19(14-21)17-33-23-10-7-20(8-11-23)25(16-26(31)32)27-29-12-13-30(27)2/h3-15,25H,16-17H2,1-2H3,(H,31,32)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138168 (CHEMBL3754659) Show SMILES Cc1cc(F)ccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r| Show InChI InChI=1S/C27H25FN2O3/c1-18-14-22(28)8-11-24(18)21-5-3-4-19(15-21)17-33-23-9-6-20(7-10-23)25(16-26(31)32)27-29-12-13-30(27)2/h3-15,25H,16-17H2,1-2H3,(H,31,32)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138169 (CHEMBL3754682) Show SMILES Cc1c(Cl)cccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r| Show InChI InChI=1S/C27H25ClN2O3/c1-18-23(7-4-8-25(18)28)21-6-3-5-19(15-21)17-33-22-11-9-20(10-12-22)24(16-26(31)32)27-29-13-14-30(27)2/h3-15,24H,16-17H2,1-2H3,(H,31,32)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	61	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50019939 (CHEMBL3287569) Show SMILES Cc1cc(Cl)ccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r| Show InChI InChI=1S/C27H25ClN2O3/c1-18-14-22(28)8-11-24(18)21-5-3-4-19(15-21)17-33-23-9-6-20(7-10-23)25(16-26(31)32)27-29-12-13-30(27)2/h3-15,25H,16-17H2,1-2H3,(H,31,32)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138170 (CHEMBL3752601) Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r| Show InChI InChI=1S/C28H28N2O3/c1-19-6-4-7-20(2)27(19)23-9-5-8-21(16-23)18-33-24-12-10-22(11-13-24)25(17-26(31)32)28-29-14-15-30(28)3/h4-16,25H,17-18H2,1-3H3,(H,31,32)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138171 (CHEMBL3752807) Show SMILES CCc1ccccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r| Show InChI InChI=1S/C28H28N2O3/c1-3-21-8-4-5-10-25(21)23-9-6-7-20(17-23)19-33-24-13-11-22(12-14-24)26(18-27(31)32)28-29-15-16-30(28)2/h4-17,26H,3,18-19H2,1-2H3,(H,31,32)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138172 (CHEMBL3752274) Show SMILES Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2Cl)cc1 |r| Show InChI InChI=1S/C26H23ClN2O3/c1-29-14-13-28-26(29)23(16-25(30)31)19-9-11-21(12-10-19)32-17-18-5-4-6-20(15-18)22-7-2-3-8-24(22)27/h2-15,23H,16-17H2,1H3,(H,30,31)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138173 (CHEMBL3753265) Show SMILES Cc1ccccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r| Show InChI InChI=1S/C27H26N2O3/c1-19-6-3-4-9-24(19)22-8-5-7-20(16-22)18-32-23-12-10-21(11-13-23)25(17-26(30)31)27-28-14-15-29(27)2/h3-16,25H,17-18H2,1-2H3,(H,30,31)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138174 (CHEMBL3754173) Show SMILES Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O4/c1-32-14-13-31-26(32)23(16-25(33)34)19-9-11-21(12-10-19)35-17-18-5-4-6-20(15-18)22-7-2-3-8-24(22)36-27(28,29)30/h2-15,23H,16-17H2,1H3,(H,33,34)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138175 (CHEMBL3754670) Show SMILES COc1ccc(cc1)-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r| Show InChI InChI=1S/C27H26N2O4/c1-29-15-14-28-27(29)25(17-26(30)31)21-8-12-24(13-9-21)33-18-19-4-3-5-22(16-19)20-6-10-23(32-2)11-7-20/h3-16,25H,17-18H2,1-2H3,(H,30,31)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138176 (CHEMBL3754524) Show SMILES COc1cccc(c1)-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r| Show InChI InChI=1S/C27H26N2O4/c1-29-14-13-28-27(29)25(17-26(30)31)20-9-11-23(12-10-20)33-18-19-5-3-6-21(15-19)22-7-4-8-24(16-22)32-2/h3-16,25H,17-18H2,1-2H3,(H,30,31)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138177 (CHEMBL3753790) Show SMILES COc1ccccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1 |r| Show InChI InChI=1S/C27H26N2O4/c1-29-15-14-28-27(29)24(17-26(30)31)20-10-12-22(13-11-20)33-18-19-6-5-7-21(16-19)23-8-3-4-9-25(23)32-2/h3-16,24H,17-18H2,1-2H3,(H,30,31)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138178 (CHEMBL3751968) Show SMILES Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2C#N)cc1 |r| Show InChI InChI=1S/C27H23N3O3/c1-30-14-13-29-27(30)25(16-26(31)32)20-9-11-23(12-10-20)33-18-19-5-4-7-21(15-19)24-8-3-2-6-22(24)17-28/h2-15,25H,16,18H2,1H3,(H,31,32)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138179 (CHEMBL3752168) Show SMILES Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2S(C)(=O)=O)cc1 |r| Show InChI InChI=1S/C27H26N2O5S/c1-29-15-14-28-27(29)24(17-26(30)31)20-10-12-22(13-11-20)34-18-19-6-5-7-21(16-19)23-8-3-4-9-25(23)35(2,32)33/h3-16,24H,17-18H2,1-2H3,(H,30,31)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50138165 (CHEMBL3753362) Show SMILES Cc1cc(Cl)ccc1-c1cccc(COc2ccc(cc2)[C@H](CC(O)=O)c2nccn2C)c1C |r| Show InChI InChI=1S/C28H27ClN2O3/c1-18-15-22(29)9-12-24(18)25-6-4-5-21(19(25)2)17-34-23-10-7-20(8-11-23)26(16-27(32)33)28-30-13-14-31(28)3/h4-15,26H,16-17H2,1-3H3,(H,32,33)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human ser...				Bioorg Med Chem Lett 26: 15-20 (2015) Article DOI: 10.1016/j.bmcl.2015.11.050 BindingDB Entry DOI: 10.7270/Q21R6SBS
					More data for this Ligand-Target Pair