Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'farmer' and Initial = 'td'   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	692	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	692	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230573 (CHEMBL4068337) Show SMILES FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccs1)C(F)(F)F |c:5| Show InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230573 (CHEMBL4068337) Show SMILES FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccs1)C(F)(F)F |c:5| Show InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230573 (CHEMBL4068337) Show SMILES FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccs1)C(F)(F)F |c:5| Show InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230573 (CHEMBL4068337) Show SMILES FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccs1)C(F)(F)F |c:5| Show InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50230577 (CHEMBL4095693) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(-c1ccc(Cl)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C21H13ClF6N4O3/c1-35-13-4-2-3-10(9-13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)12-7-5-11(22)6-8-12/h2-9H,1H3,(H,29,31)(H,30,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230577 (CHEMBL4095693) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(-c1ccc(Cl)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C21H13ClF6N4O3/c1-35-13-4-2-3-10(9-13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)12-7-5-11(22)6-8-12/h2-9H,1H3,(H,29,31)(H,30,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230577 (CHEMBL4095693) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(-c1ccc(Cl)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C21H13ClF6N4O3/c1-35-13-4-2-3-10(9-13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)12-7-5-11(22)6-8-12/h2-9H,1H3,(H,29,31)(H,30,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230577 (CHEMBL4095693) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(-c1ccc(Cl)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C21H13ClF6N4O3/c1-35-13-4-2-3-10(9-13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)12-7-5-11(22)6-8-12/h2-9H,1H3,(H,29,31)(H,30,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230577 (CHEMBL4095693) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(-c1ccc(Cl)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C21H13ClF6N4O3/c1-35-13-4-2-3-10(9-13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)12-7-5-11(22)6-8-12/h2-9H,1H3,(H,29,31)(H,30,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230574 (CHEMBL4103452) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(CC(C)C)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C19H18F6N4O3/c1-9(2)8-29-14-12(15(30)27-16(29)31)17(18(20,21)22,19(23,24)25)28-13(26-14)10-5-4-6-11(7-10)32-3/h4-7,9H,8H2,1-3H3,(H,26,28)(H,27,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230574 (CHEMBL4103452) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(CC(C)C)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C19H18F6N4O3/c1-9(2)8-29-14-12(15(30)27-16(29)31)17(18(20,21)22,19(23,24)25)28-13(26-14)10-5-4-6-11(7-10)32-3/h4-7,9H,8H2,1-3H3,(H,26,28)(H,27,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230574 (CHEMBL4103452) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(CC(C)C)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C19H18F6N4O3/c1-9(2)8-29-14-12(15(30)27-16(29)31)17(18(20,21)22,19(23,24)25)28-13(26-14)10-5-4-6-11(7-10)32-3/h4-7,9H,8H2,1-3H3,(H,26,28)(H,27,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residu...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230574 (CHEMBL4103452) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(CC(C)C)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C19H18F6N4O3/c1-9(2)8-29-14-12(15(30)27-16(29)31)17(18(20,21)22,19(23,24)25)28-13(26-14)10-5-4-6-11(7-10)32-3/h4-7,9H,8H2,1-3H3,(H,26,28)(H,27,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cA...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50230577 (CHEMBL4095693) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(-c1ccc(Cl)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C21H13ClF6N4O3/c1-35-13-4-2-3-10(9-13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)12-7-5-11(22)6-8-12/h2-9H,1H3,(H,29,31)(H,30,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 15 mins followed by NADPH addition measured after...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50230577 (CHEMBL4095693) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(-c1ccc(Cl)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C21H13ClF6N4O3/c1-35-13-4-2-3-10(9-13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)12-7-5-11(22)6-8-12/h2-9H,1H3,(H,29,31)(H,30,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50230578 (CHEMBL1628665) Show SMILES [Na+].COc1ccc2c(c1)N(C(=O)[C@@]2(CCC([O-])=O)NC(=O)c1cc2ccccc2cn1)c1ccccc1F |r| Show InChI InChI=1S/C28H22FN3O5.Na/c1-37-19-10-11-20-24(15-19)32(23-9-5-4-8-21(23)29)27(36)28(20,13-12-25(33)34)31-26(35)22-14-17-6-2-3-7-18(17)16-30-22;/h2-11,14-16H,12-13H2,1H3,(H,31,35)(H,33,34);/q;+1/p-1/t28-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at GLP-1R (unknown origin)				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 15 mins followed by NADPH addition measured after...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM50230577 (CHEMBL4095693) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(-c1ccc(Cl)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C21H13ClF6N4O3/c1-35-13-4-2-3-10(9-13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)12-7-5-11(22)6-8-12/h2-9H,1H3,(H,29,31)(H,30,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at glucagon receptor (unknown origin)				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM50230575 (CHEMBL4079193) Show SMILES Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11F6N5O4/c1-25-11-9(12(28)26(2)13(25)29)14(15(17,18)19,16(20,21)22)24-10(23-11)7-4-3-5-8(6-7)27(30)31/h3-6H,1-2H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at glucagon receptor (unknown origin)				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50230577 (CHEMBL4095693) Show SMILES COc1cccc(c1)C1=NC(c2c(N1)n(-c1ccc(Cl)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9| Show InChI InChI=1S/C21H13ClF6N4O3/c1-35-13-4-2-3-10(9-13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)12-7-5-11(22)6-8-12/h2-9H,1H3,(H,29,31)(H,30,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 15 mins followed by NADPH addition measured after...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins...				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM50230576 (CHEMBL1341270) Show SMILES Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at glucagon receptor (unknown origin)				J Med Chem 60: 1611-1616 (2017) Article DOI: 10.1021/acs.jmedchem.6b01706 BindingDB Entry DOI: 10.7270/Q2NG4SVK
					More data for this Ligand-Target Pair