Compile Data Set for Download or QSAR

Found 17 hits of ec50 data for polymerid = 50006761   

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 2 (Mus musculus)	BDBM50450289 (CHEMBL4172928) Show SMILES OC(=O)C[C@@H](Cc1ccccc1)C(=O)N(C1CC1)c1nc(cs1)-c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C23H20Cl2N2O3S/c24-16-6-9-19(25)18(12-16)20-13-31-23(26-20)27(17-7-8-17)22(30)15(11-21(28)29)10-14-4-2-1-3-5-14/h1-6,9,12-13,15,17H,7-8,10-11H2,(H,28,29)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50450440 (CHEMBL4170829) Show SMILES COc1ccc(cn1)-c1ccc(Cl)cc1-c1csc(n1)N(C1CC1)C(=O)[C@@H](CC(O)=O)Cc1ccco1 |r| Show InChI InChI=1S/C27H24ClN3O5S/c1-35-24-9-4-16(14-29-24)21-8-5-18(28)13-22(21)23-15-37-27(30-23)31(19-6-7-19)26(34)17(12-25(32)33)11-20-3-2-10-36-20/h2-5,8-10,13-15,17,19H,6-7,11-12H2,1H3,(H,32,33)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50450436 (CHEMBL4173663) Show SMILES OC(=O)C[C@@H](CC1CCCC1)C(=O)N(C1CC1)c1nc(cs1)-c1ccccc1-c1ccc(nc1)-n1cccn1 |r| Show InChI InChI=1S/C30H31N5O3S/c36-28(37)17-22(16-20-6-1-2-7-20)29(38)35(23-11-12-23)30-33-26(19-39-30)25-9-4-3-8-24(25)21-10-13-27(31-18-21)34-15-5-14-32-34/h3-5,8-10,13-15,18-20,22-23H,1-2,6-7,11-12,16-17H2,(H,36,37)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50450437 (CHEMBL4177037) Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N(C1CC1)c1nc(cs1)-c1ccccc1-c1ccc(nc1)-n1cccn1 |r| Show InChI InChI=1S/C28H29N5O3S/c1-18(2)14-20(15-26(34)35)27(36)33(21-9-10-21)28-31-24(17-37-28)23-7-4-3-6-22(23)19-8-11-25(29-16-19)32-13-5-12-30-32/h3-8,11-13,16-18,20-21H,9-10,14-15H2,1-2H3,(H,34,35)/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50450439 (CHEMBL4162307) Show SMILES COc1ccc(cn1)-c1ccccc1-c1csc(n1)N(C1CC1)C(=O)[C@H](CC1CCCC1)CC(O)=O |r| Show InChI InChI=1S/C28H31N3O4S/c1-35-25-13-10-19(16-29-25)22-8-4-5-9-23(22)24-17-36-28(30-24)31(21-11-12-21)27(34)20(15-26(32)33)14-18-6-2-3-7-18/h4-5,8-10,13,16-18,20-21H,2-3,6-7,11-12,14-15H2,1H3,(H,32,33)/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50450435 (CHEMBL4165748) Show SMILES COc1ccc(cn1)-c1ccccc1-c1csc(n1)N(C1CC1)C(=O)[C@H](CC(C)C)CC(O)=O |r| Show InChI InChI=1S/C26H29N3O4S/c1-16(2)12-18(13-24(30)31)25(32)29(19-9-10-19)26-28-22(15-34-26)21-7-5-4-6-20(21)17-8-11-23(33-3)27-14-17/h4-8,11,14-16,18-19H,9-10,12-13H2,1-3H3,(H,30,31)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50450441 (CHEMBL4173387) Show SMILES CN(C(=O)[C@H](CC1CCCC1)CC(O)=O)c1nc(cs1)-c1ccccc1Cl |r| Show InChI InChI=1S/C20H23ClN2O3S/c1-23(19(26)14(11-18(24)25)10-13-6-2-3-7-13)20-22-17(12-27-20)15-8-4-5-9-16(15)21/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H,24,25)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50305974 ((S)-2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)bu...) Show SMILES CC(C)[C@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50450438 (CHEMBL4166818) Show SMILES OC(=O)C[C@@H](Cc1ccccc1)C(=O)N(C1CC1)c1nc(cs1)-c1ccccc1Cl |r| Show InChI InChI=1S/C23H21ClN2O3S/c24-19-9-5-4-8-18(19)20-14-30-23(25-20)26(17-10-11-17)22(29)16(13-21(27)28)12-15-6-2-1-3-7-15/h1-9,14,16-17H,10-13H2,(H,27,28)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50450443 (CHEMBL4174307) Show SMILES CN(C(=O)[C@@H](CC(O)=O)Cc1ccccc1)c1nc(cs1)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H19ClN2O3S/c1-24(21-23-18(13-28-21)16-9-5-6-10-17(16)22)20(27)15(12-19(25)26)11-14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,25,26)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50450263 (CHEMBL4176503) Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r| Show InChI InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	363	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in Flp-InT-REx 293 cells assessed as reduction of forskolin-induced cAMP production after 30 mins by TR-FRE...				J Med Chem 61: 9534-9550 (2018) Article DOI: 10.1021/acs.jmedchem.8b00855 BindingDB Entry DOI: 10.7270/Q28S4SFW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Free fatty acid receptor 2 (Mus musculus)	BDBM50450442 (CHEMBL4170872) Show SMILES CN(C(=O)[C@H](CC(O)=O)Cc1ccccc1)c1nc(cs1)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H19ClN2O3S/c1-24(21-23-18(13-28-21)16-9-5-6-10-17(16)22)20(27)15(12-19(25)26)11-14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,25,26)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50450434 (CHEMBL4172349) Show SMILES CN(C(=O)[C@H](CC1CCOCC1)CC(O)=O)c1nc(cs1)-c1ccccc1Cl |r| Show InChI InChI=1S/C20H23ClN2O4S/c1-23(20-22-17(12-28-20)15-4-2-3-5-16(15)21)19(26)14(11-18(24)25)10-13-6-8-27-9-7-13/h2-5,12-14H,6-11H2,1H3,(H,24,25)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35...				Bioorg Med Chem 26: 5169-5180 (2018) Article DOI: 10.1016/j.bmc.2018.09.015 BindingDB Entry DOI: 10.7270/Q2RV0R8R
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50450263 (CHEMBL4176503) Show SMILES Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O |r| Show InChI InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Agonist activity at FFA2R in mouse mature adipocytes assessed as inhibition of isoproterenol-induced glycerol production				J Med Chem 61: 9534-9550 (2018) Article DOI: 10.1021/acs.jmedchem.8b00855 BindingDB Entry DOI: 10.7270/Q28S4SFW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Free fatty acid receptor 2 (Mus musculus)	BDBM50044849 (CHEMBL3311308) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at mouse FFA2 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR				Bioorg Med Chem Lett 24: 3100-3 (2014) Article DOI: 10.1016/j.bmcl.2014.05.012 BindingDB Entry DOI: 10.7270/Q2CC1292
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50044849 (CHEMBL3311308) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity against mouse GPR43 expressed in U2OS cells by BacMam FLIPR/summary (Abse5) assay				Bioorg Med Chem Lett 24: 3100-3 (2014) Article DOI: 10.1016/j.bmcl.2014.05.012 BindingDB Entry DOI: 10.7270/Q2CC1292
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Mus musculus)	BDBM50082199 (CH3-CH2-COOH | CHEMBL14021 | Propionsaeure | acide...) Show SMILES CCC(O)=O Show InChI InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51E+5	n/a	n/a	n/a	n/a
University of Southern Denmark Curated by ChEMBL					Assay Description Agonist activity at FFA2R in mouse mature adipocytes assessed as inhibition of isoproterenol-induced glycerol production				J Med Chem 61: 9534-9550 (2018) Article DOI: 10.1021/acs.jmedchem.8b00855 BindingDB Entry DOI: 10.7270/Q28S4SFW
					More data for this Ligand-Target Pair