Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50000990   

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 (Mus musculus)	BDBM50267119 (CHEMBL1532576) Show SMILES OC(=O)C1CN(C(=O)C1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C18H15Cl2NO4/c19-13-2-1-11(16(20)8-13)10-25-15-5-3-14(4-6-15)21-9-12(18(23)24)7-17(21)22/h1-6,8,12H,7,9-10H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267117 (CHEMBL4060499) Show SMILES COc1ccc(F)c(Cc2cccc(Oc3ccc(cc3)N3C[C@H](C[C@H]3CC(O)=O)C(F)(F)F)c2C)c1 |r| Show InChI InChI=1S/C28H27F4NO4/c1-17-18(12-19-13-24(36-2)10-11-25(19)29)4-3-5-26(17)37-23-8-6-21(7-9-23)33-16-20(28(30,31)32)14-22(33)15-27(34)35/h3-11,13,20,22H,12,14-16H2,1-2H3,(H,34,35)/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	780	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267055 (CHEMBL4059947) Show SMILES OC(=O)CC1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C21H23Cl2NO3/c22-16-6-5-15(20(23)12-16)14-27-19-9-7-17(8-10-19)24-11-3-1-2-4-18(24)13-21(25)26/h5-10,12,18H,1-4,11,13-14H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.60E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267083 (CHEMBL4088190) Show SMILES OC(=O)CC1CCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C20H21Cl2NO3/c21-15-5-4-14(19(22)11-15)13-26-18-8-6-16(7-9-18)23-10-2-1-3-17(23)12-20(24)25/h4-9,11,17H,1-3,10,12-13H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267060 (CHEMBL4063747) Show SMILES Cc1ccccc1COc1ccc(cc1C)N1CCC[C@H]1CC(O)=O |r| Show InChI InChI=1S/C21H25NO3/c1-15-6-3-4-7-17(15)14-25-20-10-9-19(12-16(20)2)22-11-5-8-18(22)13-21(23)24/h3-4,6-7,9-10,12,18H,5,8,11,13-14H2,1-2H3,(H,23,24)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267057 (CHEMBL4103681) Show SMILES Cc1cc(OCc2ccc(Cl)cc2Cl)ccc1N1CCC[C@H]1CC(O)=O |r| Show InChI InChI=1S/C20H21Cl2NO3/c1-13-9-17(26-12-14-4-5-15(21)10-18(14)22)6-7-19(13)23-8-2-3-16(23)11-20(24)25/h4-7,9-10,16H,2-3,8,11-12H2,1H3,(H,24,25)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267056 (CHEMBL4068606) Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cn1 |r| Show InChI InChI=1S/C18H18Cl2N2O3/c19-13-4-3-12(16(20)8-13)11-25-15-5-6-17(21-10-15)22-7-1-2-14(22)9-18(23)24/h3-6,8,10,14H,1-2,7,9,11H2,(H,23,24)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267035 (CHEMBL4071899) Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2CCC[C@H]2CC(O)=O)c(C)c1 |r| Show InChI InChI=1S/C27H28FNO3/c1-18-14-21(25-17-24(32-2)11-12-26(25)28)8-7-20(18)15-19-5-9-22(10-6-19)29-13-3-4-23(29)16-27(30)31/h5-12,14,17,23H,3-4,13,15-16H2,1-2H3,(H,30,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267059 (CHEMBL4091552) Show SMILES Cc1ccccc1COc1ccc(cn1)N1CCC[C@H]1CC(O)=O |r| Show InChI InChI=1S/C19H22N2O3/c1-14-5-2-3-6-15(14)13-24-18-9-8-17(12-20-18)21-10-4-7-16(21)11-19(22)23/h2-3,5-6,8-9,12,16H,4,7,10-11,13H2,1H3,(H,22,23)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267013 (CHEMBL4074138) Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2cccc(Cl)c2)cc1 |r| Show InChI InChI=1S/C18H18ClNO3/c19-13-3-1-5-17(11-13)23-16-8-6-14(7-9-16)20-10-2-4-15(20)12-18(21)22/h1,3,5-9,11,15H,2,4,10,12H2,(H,21,22)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.60E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267012 (CHEMBL4100898) Show SMILES OC(=O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2-c2ccccc2)cc1 |r| Show InChI InChI=1S/C24H23NO3/c26-24(27)17-20-9-6-16-25(20)19-12-14-21(15-13-19)28-23-11-5-4-10-22(23)18-7-2-1-3-8-18/h1-5,7-8,10-15,20H,6,9,16-17H2,(H,26,27)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267118 (CHEMBL4096887) Show SMILES Cc1ccccc1Cc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r| Show InChI InChI=1S/C20H23NO2/c1-15-5-2-3-6-17(15)13-16-8-10-18(11-9-16)21-12-4-7-19(21)14-20(22)23/h2-3,5-6,8-11,19H,4,7,12-14H2,1H3,(H,22,23)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267011 (CHEMBL4084441) Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r| Show InChI InChI=1S/C22H27NO3/c1-22(2,3)19-8-4-5-9-20(19)26-18-12-10-16(11-13-18)23-14-6-7-17(23)15-21(24)25/h4-5,8-13,17H,6-7,14-15H2,1-3H3,(H,24,25)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Mus musculus)	BDBM50267058 (CHEMBL4079421) Show SMILES Cc1ccccc1COc1ccc(cc1)N1CCC[C@H]1CC(O)=O |r| Show InChI InChI=1S/C20H23NO3/c1-15-5-2-3-6-16(15)14-24-19-10-8-17(9-11-19)21-12-4-7-18(21)13-20(22)23/h2-3,5-6,8-11,18H,4,7,12-14H2,1H3,(H,22,23)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay				J Med Chem 60: 1417-1431 (2017) Article DOI: 10.1021/acs.jmedchem.6b01559 BindingDB Entry DOI: 10.7270/Q25X2CD5
					More data for this Ligand-Target Pair