Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'darwish' and Initial = 'km'   

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))	BDBM50143047 (CHEMBL3758511) Show SMILES CCOC(=O)CCCCCOc1ccc2cc(CC3SC(=O)NC3=O)ccc2c1 Show InChI InChI=1S/C24H19N7O2/c25-24-27-21-20(23(33)28-24)29-31(30-21)19-8-4-7-18(13-19)22(32)26-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-13H,14H2,(H,26,32)(H3,25,27,28,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Modulation of FFAR1 (unknown origin)				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50412913 (CHEMBL448569) Show SMILES CCCCCCCCc1sc(=O)[nH]c1O Show InChI InChI=1S/C11H19NO2S/c1-2-3-4-5-6-7-8-9-10(13)12-11(14)15-9/h13H,2-8H2,1H3,(H,12,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Modulation of FFAR1 (unknown origin)				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM22496 (3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propan...) Show SMILES OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at FFAR1 (unknown origin) assessed as increase in ERK1/2 MAP kinase phosphorylation				Bioorg Med Chem Lett 24: 5330-6 (2014) Article DOI: 10.1016/j.bmcl.2014.07.043 BindingDB Entry DOI: 10.7270/Q2PR7XM9
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143041 (CHEMBL3759913) Show SMILES Clc1ccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H19N7O3/c1-16(2,8-24)7-18-13(25)9-4-3-5-10(6-9)23-21-11-12(22-23)19-15(17)20-14(11)26/h3-6,24H,7-8H2,1-2H3,(H,18,25)(H3,17,19,20,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.51E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143042 (CHEMBL3758719) Show SMILES Clc1ccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C18H21N7O3/c19-18-21-15-14(17(28)22-18)23-25(24-15)12-6-3-5-10(8-12)16(27)20-9-11-4-1-2-7-13(11)26/h3,5-6,8,11,13,26H,1-2,4,7,9H2,(H,20,27)(H3,19,21,22,24,28)/t11-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143043 (CHEMBL3758919) Show SMILES O=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4n3Cc3ccccc3)cc2)S1 Show InChI InChI=1S/C18H13Cl2N7O2/c19-11-4-9(5-12(20)7-11)8-22-16(28)10-2-1-3-13(6-10)27-25-14-15(26-27)23-18(21)24-17(14)29/h1-7H,8H2,(H,22,28)(H3,21,23,24,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.11E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143044 (CHEMBL3758197) Show SMILES CC(C)Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc12 Show InChI InChI=1S/C7H9N5O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H3,8,9,10)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143045 (CHEMBL3758885) Show SMILES C=CCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc12 Show InChI InChI=1S/C14H15N7O3/c15-14-17-11-10(13(24)18-14)19-21(20-11)9-4-1-3-8(7-9)12(23)16-5-2-6-22/h1,3-4,7,22H,2,5-6H2,(H,16,23)(H3,15,17,18,20,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143046 (CHEMBL3759448) Show SMILES CC(C)n1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc12 Show InChI InChI=1S/C19H15N7O4/c20-19-22-16-15(18(28)23-19)24-26(25-16)12-3-1-2-11(7-12)17(27)21-8-10-4-5-13-14(6-10)30-9-29-13/h1-7H,8-9H2,(H,21,27)(H3,20,22,23,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50269532 ((6,9,12)-linolenic acid | (6Z,9Z,12Z)-octadeca-6,9...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.62E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of N-terminal Gal4 DNA binding domain-linked human PPARalpha ligand binding domain after 24 hrs by luciferase reporter gene assay rel...				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50143015 (CHEMBL3758549) Show SMILES Brc1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1 Show InChI InChI=1S/C17H14BrNO3S/c18-13-3-1-2-12(8-13)10-22-14-6-4-11(5-7-14)9-15-16(20)19-17(21)23-15/h1-8,15H,9-10H2,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of N-terminal Gal4 DNA binding domain-linked human PPARalpha ligand binding domain after 24 hrs by luciferase reporter gene assay rel...				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50143016 (CHEMBL3759133) Show SMILES Brc1ccc(COc2ccc(CC3SC(=O)NC3=O)cc2)cc1 Show InChI InChI=1S/C17H14BrNO3S/c18-13-5-1-12(2-6-13)10-22-14-7-3-11(4-8-14)9-15-16(20)19-17(21)23-15/h1-8,15H,9-10H2,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of N-terminal Gal4 DNA binding domain-linked human PPARalpha ligand binding domain after 24 hrs by luciferase reporter gene assay rel...				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50143043 (CHEMBL3758919) Show SMILES O=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4n3Cc3ccccc3)cc2)S1 Show InChI InChI=1S/C18H13Cl2N7O2/c19-11-4-9(5-12(20)7-11)8-22-16(28)10-2-1-3-13(6-10)27-25-14-15(26-27)23-18(21)24-17(14)29/h1-7H,8H2,(H,22,28)(H3,21,23,24,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of N-terminal Gal4 DNA binding domain-linked human PPARalpha ligand binding domain after 24 hrs by luciferase reporter gene assay rel...				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50143044 (CHEMBL3758197) Show SMILES CC(C)Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc12 Show InChI InChI=1S/C7H9N5O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H3,8,9,10)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of N-terminal Gal4 DNA binding domain-linked human PPARalpha ligand binding domain after 24 hrs by luciferase reporter gene assay rel...				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50143045 (CHEMBL3758885) Show SMILES C=CCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc12 Show InChI InChI=1S/C14H15N7O3/c15-14-17-11-10(13(24)18-14)19-21(20-11)9-4-1-3-8(7-9)12(23)16-5-2-6-22/h1,3-4,7,22H,2,5-6H2,(H,16,23)(H3,15,17,18,20,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.93E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of N-terminal Gal4 DNA binding domain-linked human PPARalpha ligand binding domain after 24 hrs by luciferase reporter gene assay rel...				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50143046 (CHEMBL3759448) Show SMILES CC(C)n1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc12 Show InChI InChI=1S/C19H15N7O4/c20-19-22-16-15(18(28)23-19)24-26(25-16)12-3-1-2-11(7-12)17(27)21-8-10-4-5-13-14(6-10)30-9-29-13/h1-7H,8-9H2,(H,21,27)(H3,20,22,23,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of N-terminal Gal4 DNA binding domain-linked human PPARalpha ligand binding domain after 24 hrs by luciferase reporter gene assay rel...				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50306393 (5-(4-(4-fluorophenoxy)benzyl)thiazolidine-2,4-dion...) Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C16H12FNO3S/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)9-14-15(19)18-16(20)22-14/h1-8,19H,9H2,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Partial agonist activity at human GPR40 expressed in CHO cells assessed as fatty acid-induced calcium mobilization by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50145471 (5-(4-(benzyloxy)benzyl)thiazolidine-2,4-dione | 5-...) Show SMILES Oc1[nH]c(=O)sc1Cc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H15NO3S/c19-16-15(22-17(20)18-16)10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13/h1-9,19H,10-11H2,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.56E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143015 (CHEMBL3758549) Show SMILES Brc1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1 Show InChI InChI=1S/C17H14BrNO3S/c18-13-3-1-2-12(8-13)10-22-14-6-4-11(5-7-14)9-15-16(20)19-17(21)23-15/h1-8,15H,9-10H2,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.57E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143016 (CHEMBL3759133) Show SMILES Brc1ccc(COc2ccc(CC3SC(=O)NC3=O)cc2)cc1 Show InChI InChI=1S/C17H14BrNO3S/c18-13-5-1-12(2-6-13)10-22-14-7-3-11(4-8-14)9-15-16(20)19-17(21)23-15/h1-8,15H,9-10H2,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143017 (CHEMBL3759467) Show SMILES O=C1NC(=O)C(Cc2ccc(OCc3cccc(c3)-c3ccccc3)cc2)S1 Show InChI InChI=1S/C23H19NO3S/c25-22-21(28-23(26)24-22)14-16-9-11-20(12-10-16)27-15-17-5-4-8-19(13-17)18-6-2-1-3-7-18/h1-13,21H,14-15H2,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.91E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143020 (CHEMBL3759922) Show SMILES Cc1ccccc1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1 Show InChI InChI=1S/C24H21NO3S/c1-16-5-2-3-8-21(16)19-7-4-6-18(13-19)15-28-20-11-9-17(10-12-20)14-22-23(26)25-24(27)29-22/h2-13,22H,14-15H2,1H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.73E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143022 (CHEMBL3759212) Show SMILES Cc1cccc(C)c1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1 Show InChI InChI=1S/C25H23NO3S/c1-16-5-3-6-17(2)23(16)20-8-4-7-19(13-20)15-29-21-11-9-18(10-12-21)14-22-24(27)26-25(28)30-22/h3-13,22H,14-15H2,1-2H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143023 (CHEMBL3758553) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1 Show InChI InChI=1S/C24H18F3NO3S/c25-24(26,27)19-8-6-17(7-9-19)18-3-1-2-16(12-18)14-31-20-10-4-15(5-11-20)13-21-22(29)28-23(30)32-21/h1-12,21H,13-14H2,(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.11E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143024 (CHEMBL3759866) Show SMILES COc1cccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C26H25NO5S/c1-30-21-8-5-9-22(17-21)32-23(19-6-3-2-4-7-19)14-15-31-20-12-10-18(11-13-20)16-24-25(28)27-26(29)33-24/h2-13,17,23-24H,14-16H2,1H3,(H,27,28,29)/t23-,24?/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	1.96E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50143030 (CHEMBL3759746) Show SMILES FC(F)(F)c1ccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H22F3NO4S/c27-26(28,29)19-8-12-21(13-9-19)34-22(18-4-2-1-3-5-18)14-15-33-20-10-6-17(7-11-20)16-23-24(31)30-25(32)35-23/h1-13,22-23H,14-16H2,(H,30,31,32)/t22-,23?/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	7.42E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay				Eur J Med Chem 109: 157-72 (2016) Article DOI: 10.1016/j.ejmech.2015.12.049 BindingDB Entry DOI: 10.7270/Q2FJ2JMM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of recombinant human N-terminal GAL4-DBD fused PPARgamma LBD expressed in reporter cells measured after 24 hrs by luciferase reporter...				Bioorg Med Chem Lett 28: 1595-1602 (2018) Article DOI: 10.1016/j.bmcl.2018.03.051 BindingDB Entry DOI: 10.7270/Q2N58PVR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50271610 (CHEMBL418695) Show SMILES O=C1NC(=O)C(Cc2ccc(OCCn3ccc4ccccc34)cc2)S1 Show InChI InChI=1S/C20H18N2O3S/c23-19-18(26-20(24)21-19)13-14-5-7-16(8-6-14)25-12-11-22-10-9-15-3-1-2-4-17(15)22/h1-10,18H,11-13H2,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of recombinant human N-terminal GAL4-DBD fused PPARgamma LBD expressed in reporter cells measured after 24 hrs by luciferase reporter...				Bioorg Med Chem Lett 28: 1595-1602 (2018) Article DOI: 10.1016/j.bmcl.2018.03.051 BindingDB Entry DOI: 10.7270/Q2N58PVR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50271611 (CHEMBL4125720) Show SMILES Clc1ccc2ccn(CCOc3ccc(CC4SC(=O)NC4=O)cc3)c2c1 Show InChI InChI=1S/C20H17ClN2O3S/c21-15-4-3-14-7-8-23(17(14)12-15)9-10-26-16-5-1-13(2-6-16)11-18-19(24)22-20(25)27-18/h1-8,12,18H,9-11H2,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.51E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of recombinant human N-terminal GAL4-DBD fused PPARgamma LBD expressed in reporter cells measured after 24 hrs by luciferase reporter...				Bioorg Med Chem Lett 28: 1595-1602 (2018) Article DOI: 10.1016/j.bmcl.2018.03.051 BindingDB Entry DOI: 10.7270/Q2N58PVR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50271612 (CHEMBL4127761) Show SMILES O=C1NC(=O)C(Cc2ccc(OCCn3cnc4ccccc34)cc2)S1 Show InChI InChI=1S/C19H17N3O3S/c23-18-17(26-19(24)21-18)11-13-5-7-14(8-6-13)25-10-9-22-12-20-15-3-1-2-4-16(15)22/h1-8,12,17H,9-11H2,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of recombinant human N-terminal GAL4-DBD fused PPARgamma LBD expressed in reporter cells measured after 24 hrs by luciferase reporter...				Bioorg Med Chem Lett 28: 1595-1602 (2018) Article DOI: 10.1016/j.bmcl.2018.03.051 BindingDB Entry DOI: 10.7270/Q2N58PVR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50271613 (CHEMBL4127972) Show SMILES O=C1NC(=O)C(Cc2ccc(OCCOC(c3ccccc3)c3ccccc3)cc2)S1 Show InChI InChI=1S/C25H23NO4S/c27-24-22(31-25(28)26-24)17-18-11-13-21(14-12-18)29-15-16-30-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-23H,15-17H2,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...				Bioorg Med Chem Lett 28: 1595-1602 (2018) Article DOI: 10.1016/j.bmcl.2018.03.051 BindingDB Entry DOI: 10.7270/Q2N58PVR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50271614 (CHEMBL4126802) Show SMILES COc1ccc(cc1)C(OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccc1 Show InChI InChI=1S/C26H25NO5S/c1-30-21-13-9-20(10-14-21)24(19-5-3-2-4-6-19)32-16-15-31-22-11-7-18(8-12-22)17-23-25(28)27-26(29)33-23/h2-14,23-24H,15-17H2,1H3,(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...				Bioorg Med Chem Lett 28: 1595-1602 (2018) Article DOI: 10.1016/j.bmcl.2018.03.051 BindingDB Entry DOI: 10.7270/Q2N58PVR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50271615 (CHEMBL4130213) Show SMILES FC(F)(F)c1ccc(cc1)C(OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccc1 Show InChI InChI=1S/C26H22F3NO4S/c27-26(28,29)20-10-8-19(9-11-20)23(18-4-2-1-3-5-18)34-15-14-33-21-12-6-17(7-13-21)16-22-24(31)30-25(32)35-22/h1-13,22-23H,14-16H2,(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...				Bioorg Med Chem Lett 28: 1595-1602 (2018) Article DOI: 10.1016/j.bmcl.2018.03.051 BindingDB Entry DOI: 10.7270/Q2N58PVR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50271610 (CHEMBL418695) Show SMILES O=C1NC(=O)C(Cc2ccc(OCCn3ccc4ccccc34)cc2)S1 Show InChI InChI=1S/C20H18N2O3S/c23-19-18(26-20(24)21-19)13-14-5-7-16(8-6-14)25-12-11-22-10-9-15-3-1-2-4-17(15)22/h1-10,18H,11-13H2,(H,21,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...				Bioorg Med Chem Lett 28: 1595-1602 (2018) Article DOI: 10.1016/j.bmcl.2018.03.051 BindingDB Entry DOI: 10.7270/Q2N58PVR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50271611 (CHEMBL4125720) Show SMILES Clc1ccc2ccn(CCOc3ccc(CC4SC(=O)NC4=O)cc3)c2c1 Show InChI InChI=1S/C20H17ClN2O3S/c21-15-4-3-14-7-8-23(17(14)12-15)9-10-26-16-5-1-13(2-6-16)11-18-19(24)22-20(25)27-18/h1-8,12,18H,9-11H2,(H,22,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.06E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...				Bioorg Med Chem Lett 28: 1595-1602 (2018) Article DOI: 10.1016/j.bmcl.2018.03.051 BindingDB Entry DOI: 10.7270/Q2N58PVR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50271612 (CHEMBL4127761) Show SMILES O=C1NC(=O)C(Cc2ccc(OCCn3cnc4ccccc34)cc2)S1 Show InChI InChI=1S/C19H17N3O3S/c23-18-17(26-19(24)21-18)11-13-5-7-14(8-6-13)25-10-9-22-12-20-15-3-1-2-4-16(15)22/h1-8,12,17H,9-11H2,(H,21,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.31E+3	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...				Bioorg Med Chem Lett 28: 1595-1602 (2018) Article DOI: 10.1016/j.bmcl.2018.03.051 BindingDB Entry DOI: 10.7270/Q2N58PVR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50271616 (CHEMBL4127920) Show SMILES CCCCC\C=C\C\C=C\C\C=C\CCCCC(O)=O Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6+,10-9+,13-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Suez Canal University Curated by ChEMBL					Assay Description Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...				Bioorg Med Chem Lett 28: 1595-1602 (2018) Article DOI: 10.1016/j.bmcl.2018.03.051 BindingDB Entry DOI: 10.7270/Q2N58PVR
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50049240 ((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...) Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.13E+5	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at FFAR1 (unknown origin) assessed as increase in ERK1/2 MAP kinase phosphorylation				Bioorg Med Chem Lett 24: 5330-6 (2014) Article DOI: 10.1016/j.bmcl.2014.07.043 BindingDB Entry DOI: 10.7270/Q2PR7XM9
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a
Suez Canal University Curated by ChEMBL					Assay Description Agonist activity at FFAR1 (unknown origin) assessed as increase in ERK1/2 MAP kinase phosphorylation				Bioorg Med Chem Lett 24: 5330-6 (2014) Article DOI: 10.1016/j.bmcl.2014.07.043 BindingDB Entry DOI: 10.7270/Q2PR7XM9
					More data for this Ligand-Target Pair