Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 1' and Ligand = 'BDBM50386655'   

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))	BDBM50386655 (CHEMBL2048613) Show SMILES COc1ccc(COc2ccc(CCC(O)=O)cc2)cc1-c1c(C)cccc1C |(-8.08,-1.71,;-8.07,-3.25,;-6.73,-4.01,;-5.41,-3.23,;-4.06,-4,;-4.06,-5.54,;-2.72,-6.3,;-1.39,-5.53,;-.05,-6.3,;-.05,-7.83,;1.28,-8.6,;2.61,-7.83,;3.95,-8.59,;5.28,-7.81,;6.62,-8.58,;6.63,-10.12,;7.95,-7.8,;2.6,-6.28,;1.27,-5.52,;-5.39,-6.31,;-6.72,-5.54,;-8.05,-6.32,;-9.38,-5.55,;-9.39,-4.01,;-10.71,-6.32,;-10.71,-7.87,;-9.38,-8.64,;-8.04,-7.87,;-6.71,-8.63,)| Show InChI InChI=1S/C25H26O4/c1-17-5-4-6-18(2)25(17)22-15-20(9-13-23(22)28-3)16-29-21-11-7-19(8-12-21)10-14-24(26)27/h4-9,11-13,15H,10,14,16H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from human GPR40 receptor expressed in CH...				J Med Chem 55: 3756-76 (2012) Article DOI: 10.1021/jm2016123 BindingDB Entry DOI: 10.7270/Q2N58NDH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Rattus norvegicus)	BDBM50386655 (CHEMBL2048613) Show SMILES COc1ccc(COc2ccc(CCC(O)=O)cc2)cc1-c1c(C)cccc1C |(-8.08,-1.71,;-8.07,-3.25,;-6.73,-4.01,;-5.41,-3.23,;-4.06,-4,;-4.06,-5.54,;-2.72,-6.3,;-1.39,-5.53,;-.05,-6.3,;-.05,-7.83,;1.28,-8.6,;2.61,-7.83,;3.95,-8.59,;5.28,-7.81,;6.62,-8.58,;6.63,-10.12,;7.95,-7.8,;2.6,-6.28,;1.27,-5.52,;-5.39,-6.31,;-6.72,-5.54,;-8.05,-6.32,;-9.38,-5.55,;-9.39,-4.01,;-10.71,-6.32,;-10.71,-7.87,;-9.38,-8.64,;-8.04,-7.87,;-6.71,-8.63,)| Show InChI InChI=1S/C25H26O4/c1-17-5-4-6-18(2)25(17)22-15-20(9-13-23(22)28-3)16-29-21-11-7-19(8-12-21)10-14-24(26)27/h4-9,11-13,15H,10,14,16H2,1-3H3,(H,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO ...				J Med Chem 55: 3756-76 (2012) Article DOI: 10.1021/jm2016123 BindingDB Entry DOI: 10.7270/Q2N58NDH
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50386655 (CHEMBL2048613) Show SMILES COc1ccc(COc2ccc(CCC(O)=O)cc2)cc1-c1c(C)cccc1C |(-8.08,-1.71,;-8.07,-3.25,;-6.73,-4.01,;-5.41,-3.23,;-4.06,-4,;-4.06,-5.54,;-2.72,-6.3,;-1.39,-5.53,;-.05,-6.3,;-.05,-7.83,;1.28,-8.6,;2.61,-7.83,;3.95,-8.59,;5.28,-7.81,;6.62,-8.58,;6.63,-10.12,;7.95,-7.8,;2.6,-6.28,;1.27,-5.52,;-5.39,-6.31,;-6.72,-5.54,;-8.05,-6.32,;-9.38,-5.55,;-9.39,-4.01,;-10.71,-6.32,;-10.71,-7.87,;-9.38,-8.64,;-8.04,-7.87,;-6.71,-8.63,)| Show InChI InChI=1S/C25H26O4/c1-17-5-4-6-18(2)25(17)22-15-20(9-13-23(22)28-3)16-29-21-11-7-19(8-12-21)10-14-24(26)27/h4-9,11-13,15H,10,14,16H2,1-3H3,(H,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	20	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the...				J Med Chem 55: 3756-76 (2012) Article DOI: 10.1021/jm2016123 BindingDB Entry DOI: 10.7270/Q2N58NDH
					More data for this Ligand-Target Pair