Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 2' and Ligand = 'BDBM50450436'   

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 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method				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 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Ogeda SA Curated by ChEMBL					Assay Description Agonist activity at human 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