Compile Data Set for Download or QSAR

Found 1609 hits with Last Name = 'zou' and Initial = 'l'   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312599 (CHEMBL1093735 | N-Cyclohexyl-4-[(2,4-dichloropheny...) Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting				Eur J Med Chem 46: 5310-6 (2011) Article DOI: 10.1016/j.ejmech.2011.08.030 BindingDB Entry DOI: 10.7270/Q22J6C85
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50355892 (CHEMBL1910035) Show SMILES Cc1ccc(cc1)[C@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting				Eur J Med Chem 46: 5310-6 (2011) Article DOI: 10.1016/j.ejmech.2011.08.030 BindingDB Entry DOI: 10.7270/Q22J6C85
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50355891 (CHEMBL1910034) Show SMILES Cc1ccc(cc1)[C@@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting				Eur J Med Chem 46: 5310-6 (2011) Article DOI: 10.1016/j.ejmech.2011.08.030 BindingDB Entry DOI: 10.7270/Q22J6C85
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50154561 (CHEMBL3774603) Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15| Show InChI InChI=1S/C36H56O6/c1-9-41-30(40)33(5)19-18-32(4)20-21-35(7)23(24(32)22-33)10-11-26-34(6)16-15-27(42-29(39)13-12-28(37)38)31(2,3)25(34)14-17-36(26,35)8/h10,24-27H,9,11-22H2,1-8H3,(H,37,38)/t24-,25-,26+,27-,32+,33-,34-,35+,36+/m0/s1	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Competitive inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addit...				Eur J Med Chem 112: 280-8 (2016) Article DOI: 10.1016/j.ejmech.2016.02.020 BindingDB Entry DOI: 10.7270/Q2TQ63D6
					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	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
Cocaine esterase (Homo sapiens (Human))	BDBM50552232 (CHEMBL4776624) Show SMILES COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCC2)ccc1O Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by su...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112856 BindingDB Entry DOI: 10.7270/Q2NZ8CB7
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50571105 (CHEMBL4851375) Show SMILES Cc1ccc(CC2C(=O)N(N=C2c2ccc(C)cc2)C2CCCCC2)cc1 |c:10| Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Non-competitive inhibition of CES2 in human liver microsomes using fluorescein diacetate as substrate by Lineweaver-Burk plot based Michelis-Menten e...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116187 BindingDB Entry DOI: 10.7270/Q2SN0DQP
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	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 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	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 (Homo sapiens (Human))	BDBM404212 ((2S,5R)-5-(2-chlorophenyl)-1-(2'-cyano-4'-methoxy-...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCC1)c1ccccc1Cl Show InChI InChI=1S/C28H33ClN4O7S/c29-22-7-3-2-6-21(22)23-10-11-25(28(35)36)32(23)27(34)19-12-16-30(17-13-19)24-9-8-20(18-26(24)33(37)38)41(39,40)31-14-4-1-5-15-31/h2-3,6-9,18-19,23,25H,1,4-5,10-17H2,(H,35,36)/t23-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...				US Patent US10358416 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T9T
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	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 (Homo sapiens (Human))	BDBM408766 ((2S,5R)-1-(1-(5-chloro-2-nitrophenyl)piperidine-4-...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1cc(Cl)ccc1[N+]([O-])=O)c1ccccc1Cl Show InChI InChI=1S/C23H23Cl2N3O5/c24-15-5-6-19(28(32)33)21(13-15)26-11-9-14(10-12-26)22(29)27-18(7-8-20(27)23(30)31)16-3-1-2-4-17(16)25/h1-6,13-14,18,20H,7-12H2,(H,30,31)/t18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...				US Patent US10358416 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T9T
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50355892 (CHEMBL1910035) Show SMILES Cc1ccc(cc1)[C@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting				Eur J Med Chem 46: 5310-6 (2011) Article DOI: 10.1016/j.ejmech.2011.08.030 BindingDB Entry DOI: 10.7270/Q22J6C85
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50355891 (CHEMBL1910034) Show SMILES Cc1ccc(cc1)[C@@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	242	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting				Eur J Med Chem 46: 5310-6 (2011) Article DOI: 10.1016/j.ejmech.2011.08.030 BindingDB Entry DOI: 10.7270/Q22J6C85
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50584760 (CHEMBL2068968) Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inactivation of recombinant human CYP3A4 assessed as inhibition constant using midazolam as substrate preincubated for 5 mins followed by beta-NADP a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	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 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50312599 (CHEMBL1093735 | N-Cyclohexyl-4-[(2,4-dichloropheny...) Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	329	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting				Eur J Med Chem 46: 5310-6 (2011) Article DOI: 10.1016/j.ejmech.2011.08.030 BindingDB Entry DOI: 10.7270/Q22J6C85
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	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 (Homo sapiens (Human))	BDBM408762 ((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-cyano-4-nitroph...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1C#N)[N+]([O-])=O)c1ccccc1Cl Show InChI InChI=1S/C24H23ClN4O5/c25-19-4-2-1-3-18(19)21-7-8-22(24(31)32)28(21)23(30)15-9-11-27(12-10-15)20-6-5-17(29(33)34)13-16(20)14-26/h1-6,13,15,21-22H,7-12H2,(H,31,32)/t21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...				US Patent US10358416 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T9T
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM404212 ((2S,5R)-5-(2-chlorophenyl)-1-(2'-cyano-4'-methoxy-...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCC1)c1ccccc1Cl Show InChI InChI=1S/C28H33ClN4O7S/c29-22-7-3-2-6-21(22)23-10-11-25(28(35)36)32(23)27(34)19-12-16-30(17-13-19)24-9-8-20(18-26(24)33(37)38)41(39,40)31-14-4-1-5-15-31/h2-3,6-9,18-19,23,25H,1,4-5,10-17H2,(H,35,36)/t23-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...				US Patent US10358416 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T9T
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408761 ((2S,5R)-5-(2-chlorophenyl)-1-(1-(4-methyl-2-nitrop...) Show SMILES Cc1ccc(N2CCC(CC2)C(=O)N2[C@@H](CC[C@@H]2c2ccccc2Cl)C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C24H26ClN3O5/c1-15-6-7-20(22(14-15)28(32)33)26-12-10-16(11-13-26)23(29)27-19(8-9-21(27)24(30)31)17-4-2-3-5-18(17)25/h2-7,14,16,19,21H,8-13H2,1H3,(H,30,31)/t19-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...				US Patent US10358416 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T9T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50584760 (CHEMBL2068968) Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inactivation of CYP3A4 in human liver microsomes assessed as inhibition constant using midazolam as substrate preincubated for 5 mins followed by bet...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	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 (Homo sapiens (Human))	BDBM404211 ((2S,5R)-5-(2-cyanophenyl)-1-(2'-methoxy-[1,1'-biph...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F)c1ccccc1Cl Show InChI InChI=1S/C24H23ClF3N3O5/c25-17-4-2-1-3-16(17)18-7-8-20(23(33)34)30(18)22(32)14-9-11-29(12-10-14)19-6-5-15(24(26,27)28)13-21(19)31(35)36/h1-6,13-14,18,20H,7-12H2,(H,33,34)/t18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...				US Patent US10781171 (2020) BindingDB Entry DOI: 10.7270/Q2XP780V
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408758 ( (2S,5R)-5-(2-chlorophenyl)-1-(1-(4-(morpholinosul...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCOCC1)c1ccccc1Cl Show InChI InChI=1S/C27H31ClN4O8S/c28-21-4-2-1-3-20(21)22-7-8-24(27(34)35)31(22)26(33)18-9-11-29(12-10-18)23-6-5-19(17-25(23)32(36)37)41(38,39)30-13-15-40-16-14-30/h1-6,17-18,22,24H,7-16H2,(H,34,35)/t22-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...				US Patent US10358416 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T9T
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408760 ((2S,5R)-5-(2-chlorophenyl)-1-(1-(4-(N,N-diethylsul...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(N2CCC(CC2)C(=O)N2[C@@H](CC[C@@H]2c2ccccc2Cl)C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C27H33ClN4O7S/c1-3-30(4-2)40(38,39)19-9-10-23(25(17-19)32(36)37)29-15-13-18(14-16-29)26(33)31-22(11-12-24(31)27(34)35)20-7-5-6-8-21(20)28/h5-10,17-18,22,24H,3-4,11-16H2,1-2H3,(H,34,35)/t22-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...				US Patent US10358416 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T9T
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408767 ((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-nitrophenyl)pip...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccccc1[N+]([O-])=O)c1ccccc1Cl Show InChI InChI=1S/C23H24ClN3O5/c24-17-6-2-1-5-16(17)18-9-10-21(23(29)30)26(18)22(28)15-11-13-25(14-12-15)19-7-3-4-8-20(19)27(31)32/h1-8,15,18,21H,9-14H2,(H,29,30)/t18-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...				US Patent US10358416 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T9T
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408765 ( (2S,5R)-5-(2-chlorophenyl)-1-(1-(3-methoxy-4-nitr...) Show SMILES COc1cc(ccc1[N+]([O-])=O)N1CCC(CC1)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1Cl)C(O)=O Show InChI InChI=1S/C24H26ClN3O6/c1-34-22-14-16(6-7-20(22)28(32)33)26-12-10-15(11-13-26)23(29)27-19(8-9-21(27)24(30)31)17-4-2-3-5-18(17)25/h2-7,14-15,19,21H,8-13H2,1H3,(H,30,31)/t19-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...				US Patent US10358416 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T9T
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408763 ( (2S,5R)-5-(2-chlorophenyl)-1-(1-(4-nitrophenyl)pi...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)c1ccccc1Cl Show InChI InChI=1S/C23H24ClN3O5/c24-19-4-2-1-3-18(19)20-9-10-21(23(29)30)26(20)22(28)15-11-13-25(14-12-15)16-5-7-17(8-6-16)27(31)32/h1-8,15,20-21H,9-14H2,(H,29,30)/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...				US Patent US10358416 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T9T
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408764 ((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-fluoro-4-nitrop...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1F)[N+]([O-])=O)c1ccccc1Cl Show InChI InChI=1S/C23H23ClFN3O5/c24-17-4-2-1-3-16(17)19-7-8-21(23(30)31)27(19)22(29)14-9-11-26(12-10-14)20-6-5-15(28(32)33)13-18(20)25/h1-6,13-14,19,21H,7-12H2,(H,30,31)/t19-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description The [35S]GTPγS assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 μg/ml saponin, 30 mM of MgCl2, 10 μM of GDP, 5 μg membra...				US Patent US10358416 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T9T
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408766 ((2S,5R)-1-(1-(5-chloro-2-nitrophenyl)piperidine-4-...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1cc(Cl)ccc1[N+]([O-])=O)c1ccccc1Cl Show InChI InChI=1S/C23H23Cl2N3O5/c24-15-5-6-19(28(32)33)21(13-15)26-11-9-14(10-12-26)22(29)27-18(7-8-20(27)23(30)31)16-3-1-2-4-17(16)25/h1-6,13-14,18,20H,7-12H2,(H,30,31)/t18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...				US Patent US10781171 (2020) BindingDB Entry DOI: 10.7270/Q2XP780V
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50584761 (BUFALIN | Bufalin | CHEBI:517248) Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inactivation of recombinant human CYP3A4 assessed as inhibition constant using midazolam as substrate preincubated for 5 mins followed by beta-NADP a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50017698 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...) Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CES2A using 4-methylumbelliferone as a substrate				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112856 BindingDB Entry DOI: 10.7270/Q2NZ8CB7
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408762 ((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-cyano-4-nitroph...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1C#N)[N+]([O-])=O)c1ccccc1Cl Show InChI InChI=1S/C24H23ClN4O5/c25-19-4-2-1-3-18(19)21-7-8-22(24(31)32)28(21)23(30)15-9-11-27(12-10-15)20-6-5-17(29(33)34)13-16(20)14-26/h1-6,13,15,21-22H,7-12H2,(H,31,32)/t21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...				US Patent US10781171 (2020) BindingDB Entry DOI: 10.7270/Q2XP780V
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM404212 ((2S,5R)-5-(2-chlorophenyl)-1-(2'-cyano-4'-methoxy-...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCC1)c1ccccc1Cl Show InChI InChI=1S/C28H33ClN4O7S/c29-22-7-3-2-6-21(22)23-10-11-25(28(35)36)32(23)27(34)19-12-16-30(17-13-19)24-9-8-20(18-26(24)33(37)38)41(39,40)31-14-4-1-5-15-31/h2-3,6-9,18-19,23,25H,1,4-5,10-17H2,(H,35,36)/t23-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...				US Patent US10781171 (2020) BindingDB Entry DOI: 10.7270/Q2XP780V
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408761 ((2S,5R)-5-(2-chlorophenyl)-1-(1-(4-methyl-2-nitrop...) Show SMILES Cc1ccc(N2CCC(CC2)C(=O)N2[C@@H](CC[C@@H]2c2ccccc2Cl)C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C24H26ClN3O5/c1-15-6-7-20(22(14-15)28(32)33)26-12-10-16(11-13-26)23(29)27-19(8-9-21(27)24(30)31)17-4-2-3-5-18(17)25/h2-7,14,16,19,21H,8-13H2,1H3,(H,30,31)/t19-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...				US Patent US10781171 (2020) BindingDB Entry DOI: 10.7270/Q2XP780V
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	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 (Homo sapiens (Human))	BDBM408758 ( (2S,5R)-5-(2-chlorophenyl)-1-(1-(4-(morpholinosul...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCOCC1)c1ccccc1Cl Show InChI InChI=1S/C27H31ClN4O8S/c28-21-4-2-1-3-20(21)22-7-8-24(27(34)35)31(22)26(33)18-9-11-29(12-10-18)23-6-5-19(17-25(23)32(36)37)41(38,39)30-13-15-40-16-14-30/h1-6,17-18,22,24H,7-16H2,(H,34,35)/t22-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...				US Patent US10781171 (2020) BindingDB Entry DOI: 10.7270/Q2XP780V
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408765 ( (2S,5R)-5-(2-chlorophenyl)-1-(1-(3-methoxy-4-nitr...) Show SMILES COc1cc(ccc1[N+]([O-])=O)N1CCC(CC1)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1Cl)C(O)=O Show InChI InChI=1S/C24H26ClN3O6/c1-34-22-14-16(6-7-20(22)28(32)33)26-12-10-15(11-13-26)23(29)27-19(8-9-21(27)24(30)31)17-4-2-3-5-18(17)25/h2-7,14-15,19,21H,8-13H2,1H3,(H,30,31)/t19-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...				US Patent US10781171 (2020) BindingDB Entry DOI: 10.7270/Q2XP780V
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408764 ((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-fluoro-4-nitrop...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1F)[N+]([O-])=O)c1ccccc1Cl Show InChI InChI=1S/C23H23ClFN3O5/c24-17-4-2-1-3-16(17)19-7-8-21(23(30)31)27(19)22(29)14-9-11-26(12-10-14)20-6-5-15(28(32)33)13-18(20)25/h1-6,13-14,19,21H,7-12H2,(H,30,31)/t19-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...				US Patent US10781171 (2020) BindingDB Entry DOI: 10.7270/Q2XP780V
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408763 ( (2S,5R)-5-(2-chlorophenyl)-1-(1-(4-nitrophenyl)pi...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)c1ccccc1Cl Show InChI InChI=1S/C23H24ClN3O5/c24-19-4-2-1-3-18(19)20-9-10-21(23(29)30)26(20)22(28)15-11-13-25(14-12-15)16-5-7-17(8-6-16)27(31)32/h1-8,15,20-21H,9-14H2,(H,29,30)/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...				US Patent US10781171 (2020) BindingDB Entry DOI: 10.7270/Q2XP780V
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408767 ((2S,5R)-5-(2-chlorophenyl)-1-(1-(2-nitrophenyl)pip...) Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)C1CCN(CC1)c1ccccc1[N+]([O-])=O)c1ccccc1Cl Show InChI InChI=1S/C23H24ClN3O5/c24-17-6-2-1-5-16(17)18-9-10-21(23(29)30)26(18)22(28)15-11-13-25(14-12-15)19-7-3-4-8-20(19)27(31)32/h1-8,15,18,21H,9-14H2,(H,29,30)/t18-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...				US Patent US10781171 (2020) BindingDB Entry DOI: 10.7270/Q2XP780V
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	BDBM408760 ((2S,5R)-5-(2-chlorophenyl)-1-(1-(4-(N,N-diethylsul...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(N2CCC(CC2)C(=O)N2[C@@H](CC[C@@H]2c2ccccc2Cl)C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C27H33ClN4O7S/c1-3-30(4-2)40(38,39)19-9-10-23(25(17-19)32(36)37)29-15-13-18(14-16-29)26(33)31-22(11-12-24(31)27(34)35)20-7-5-6-8-21(20)28/h5-10,17-18,22,24H,3-4,11-16H2,1-2H3,(H,34,35)/t22-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epics Therapeutics US Patent					Assay Description Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of c...				US Patent US10781171 (2020) BindingDB Entry DOI: 10.7270/Q2XP780V
					More data for this Ligand-Target Pair
Free fatty acid receptor 2 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50584761 (BUFALIN | Bufalin | CHEBI:517248) Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inactivation of CYP3A4 in human liver microsomes assessed as inhibition constant using midazolam as substrate preincubated for 5 mins followed by bet...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50355892 (CHEMBL1910035) Show SMILES Cc1ccc(cc1)[C@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in CHO cells coexpressing Galpha15/16 assessed as inhibition of CP55940-induced Ca2+ release afte...				Eur J Med Chem 46: 5310-6 (2011) Article DOI: 10.1016/j.ejmech.2011.08.030 BindingDB Entry DOI: 10.7270/Q22J6C85
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50602881 (CHEMBL5204688) Show SMILES CC(O)c1cc(NC(=O)c2cc(C(C)=O)n3ccc(N)cc23)c(F)c(c1)-c1cnn(c1)C1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01864 BindingDB Entry DOI: 10.7270/Q2VT1X5F
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50602873 (CHEMBL5191045) Show SMILES CC(=O)c1cc(C(=O)Nc2cc(CO)cc(-c3cnn(C)c3)c2F)c2cc(N)ccn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01864 BindingDB Entry DOI: 10.7270/Q2VT1X5F
					More data for this Ligand-Target Pair

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