Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50046284   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50103543 (CHEMBL3358006) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103561 (CHEMBL3357996) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)C#N)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H17F3N8O2/c1-13-11-31(20-30-29-18(34-20)21(22,23)24)4-5-32(13)19-27-9-17(10-28-19)33-12-15-3-2-14(7-25)6-16(15)8-26/h2-3,6,9-10,13H,4-5,11-12H2,1H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103544 (CHEMBL3358005) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F4N6O4S/c1-12-10-29(19-27-17(28-34-19)20(22,23)24)5-6-30(12)18-25-8-14(9-26-18)33-11-13-3-4-15(7-16(13)21)35(2,31)32/h3-4,7-9,12H,5-6,10-11H2,1-2H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103557 (CHEMBL3358000) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)-n2cnnn2)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F4N10O2/c1-12-9-32(19-29-28-17(36-19)20(22,23)24)4-5-33(12)18-25-7-15(8-26-18)35-10-13-2-3-14(6-16(13)21)34-11-27-30-31-34/h2-3,6-8,11-12H,4-5,9-10H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103562 (CHEMBL3357995) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N7O4S/c1-13-11-30(20-29-28-18(35-20)21(22,23)24)5-6-31(13)19-26-9-16(10-27-19)34-12-14-3-4-17(36(2,32)33)7-15(14)8-25/h3-4,7,9-10,13H,5-6,11-12H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103563 (CHEMBL3357994) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F4N6O4S/c1-12-10-29(19-28-27-17(34-19)20(22,23)24)5-6-30(12)18-25-8-14(9-26-18)33-11-13-3-4-15(7-16(13)21)35(2,31)32/h3-4,7-9,12H,5-6,10-11H2,1-2H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103552 (CHEMBL3358014) Show SMILES CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1 |r| Show InChI InChI=1S/C22H27FN6O4S/c1-14(2)20-26-22(33-27-20)28-7-8-29(15(3)12-28)21-24-10-17(11-25-21)32-13-16-5-6-18(9-19(16)23)34(4,30)31/h5-6,9-11,14-15H,7-8,12-13H2,1-4H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103560 (CHEMBL3357997) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N6O4S/c1-13-11-28(19-27-26-17(33-19)20(21,22)23)7-8-29(13)18-24-9-15(10-25-18)32-12-14-3-5-16(6-4-14)34(2,30)31/h3-6,9-10,13H,7-8,11-12H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50103543 (CHEMBL3358006) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) by high throughput fluorescence assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50103543 (CHEMBL3358006) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) by high throughput fluorescence assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50103543 (CHEMBL3358006) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) by high throughput fluorescence assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50103543 (CHEMBL3358006) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) by high throughput fluorescence assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50103543 (CHEMBL3358006) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) by high throughput fluorescence assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103550 (CHEMBL3358012) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)C(=O)OC1(COC1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F4N4O6S/c1-14-10-29(20(31)36-21(12-34-13-21)22(24,25)26)5-6-30(14)19-27-8-16(9-28-19)35-11-15-3-4-17(7-18(15)23)37(2,32)33/h3-4,7-9,14H,5-6,10-13H2,1-2H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103558 (CHEMBL3357999) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)C#N)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H17F4N7O2/c1-12-10-30(19-29-28-17(33-19)20(22,23)24)4-5-31(12)18-26-8-15(9-27-18)32-11-14-3-2-13(7-25)6-16(14)21/h2-3,6,8-9,12H,4-5,10-11H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103555 (CHEMBL3358002) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F4N6O5S/c1-12-10-29(19-28-27-17(34-19)20(22,23)24)5-6-30(12)18-25-8-15(9-26-18)33-11-13-3-4-14(7-16(13)21)35-36(2,31)32/h3-4,7-9,12H,5-6,10-11H2,1-2H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103564 (CHEMBL3218816) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C19H17F3N8O2/c1-12-10-29(18-28-27-16(32-18)19(20,21)22)4-5-30(12)17-25-8-15(9-26-17)31-11-13-2-3-24-7-14(13)6-23/h2-3,7-9,12H,4-5,10-11H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily E member 1 (Homo sapiens (Human))	BDBM50103543 (CHEMBL3358006) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IKs channel (unknown origin)				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103545 (CHEMBL3358007) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O3S/c1-13-10-30(20-28-18(29-34-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)33-11-15-4-3-14(7-17(15)22)12-35(2)32/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103556 (CHEMBL3358001) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-29-28-18(35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103559 (CHEMBL3357998) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N6O4S/c1-14-11-29(20-28-27-18(34-20)21(22,23)24)7-8-30(14)19-25-9-17(10-26-19)33-12-15-3-5-16(6-4-15)13-35(2,31)32/h3-6,9-10,14H,7-8,11-13H2,1-2H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103551 (CHEMBL3358013) Show SMILES CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1 |r| Show InChI InChI=1S/C23H29FN6O4S/c1-15(2)21-27-23(34-28-21)29-7-8-30(16(3)12-29)22-25-10-19(11-26-22)33-13-18-6-5-17(9-20(18)24)14-35(4,31)32/h5-6,9-11,15-16H,7-8,12-14H2,1-4H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103549 (CHEMBL3358011) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1)C(=O)OC1(COC1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F4N4O7S/c1-14-10-29(20(31)36-21(12-34-13-21)22(24,25)26)5-6-30(14)19-27-8-17(9-28-19)35-11-15-3-4-16(7-18(15)23)37-38(2,32)33/h3-4,7-9,14H,5-6,10-13H2,1-2H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103548 (CHEMBL3358010) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)C(=O)OC1(COC1)C(F)(F)F |r| Show InChI InChI=1S/C23H26F4N4O6S/c1-15-10-30(21(32)37-22(13-35-14-22)23(25,26)27)5-6-31(15)20-28-8-18(9-29-20)36-11-17-4-3-16(7-19(17)24)12-38(2,33)34/h3-4,7-9,15H,5-6,10-14H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103554 (CHEMBL3358003) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O3S/c1-13-10-30(20-29-28-18(34-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)33-11-15-4-3-14(7-17(15)22)12-35(2)32/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103553 (CHEMBL3358004) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=N)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F4N7O3S/c1-13-10-31(20-30-29-18(35-20)21(23,24)25)5-6-32(13)19-27-8-16(9-28-19)34-11-15-4-3-14(7-17(15)22)12-36(2,26)33/h3-4,7-9,13,26H,5-6,10-12H2,1-2H3/t13-,36?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50103543 (CHEMBL3358006) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	PDB 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of NaV1.5 (unknown origin)				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50103543 (CHEMBL3358006) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CaV1.2 (unknown origin)				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103547 (CHEMBL3358009) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)N=S(C)(C)=O)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F4N7O3S/c1-13-11-31(20-28-18(29-35-20)21(23,24)25)6-7-32(13)19-26-9-16(10-27-19)34-12-14-4-5-15(8-17(14)22)30-36(2,3)33/h4-5,8-10,13H,6-7,11-12H2,1-3H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103546 (CHEMBL3358008) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=N)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F4N7O3S/c1-13-10-31(20-29-18(30-35-20)21(23,24)25)5-6-32(13)19-27-8-16(9-28-19)34-11-15-4-3-14(7-17(15)22)12-36(2,26)33/h3-4,7-9,13,26H,5-6,10-12H2,1-2H3/t13-,36?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50103543 (CHEMBL3358006) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp based electrophysiology method				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Mus musculus)	BDBM50103553 (CHEMBL3358004) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=N)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F4N7O3S/c1-13-10-31(20-30-29-18(35-20)21(23,24)25)5-6-32(13)19-27-8-16(9-28-19)34-11-15-4-3-14(7-17(15)22)12-36(2,26)33/h3-4,7-9,13,26H,5-6,10-12H2,1-2H3/t13-,36?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Mus musculus)	BDBM50103554 (CHEMBL3358003) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O3S/c1-13-10-30(20-29-28-18(34-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)33-11-15-4-3-14(7-17(15)22)12-35(2)32/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-,35?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	976	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Mus musculus)	BDBM50103555 (CHEMBL3358002) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F4N6O5S/c1-12-10-29(19-28-27-17(34-19)20(22,23)24)5-6-30(12)18-25-8-15(9-26-18)33-11-13-3-4-14(7-16(13)21)35-36(2,31)32/h3-4,7-9,12H,5-6,10-11H2,1-2H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Mus musculus)	BDBM50103556 (CHEMBL3358001) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-29-28-18(35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	249	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Mus musculus)	BDBM50103557 (CHEMBL3358000) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)-n2cnnn2)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F4N10O2/c1-12-9-32(19-29-28-17(36-19)20(22,23)24)4-5-33(12)18-25-7-15(8-26-18)35-10-13-2-3-14(6-16(13)21)34-11-27-30-31-34/h2-3,6-8,11-12H,4-5,9-10H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Mus musculus)	BDBM50103558 (CHEMBL3357999) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)C#N)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H17F4N7O2/c1-12-10-30(19-29-28-17(33-19)20(22,23)24)4-5-31(12)18-26-8-15(9-27-18)32-11-14-3-2-13(7-25)6-16(14)21/h2-3,6,8-9,12H,4-5,10-11H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	216	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Mus musculus)	BDBM50103559 (CHEMBL3357998) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N6O4S/c1-14-11-29(20-28-27-18(34-20)21(22,23)24)7-8-30(14)19-25-9-17(10-26-19)33-12-15-3-5-16(6-4-15)13-35(2,31)32/h3-6,9-10,14H,7-8,11-13H2,1-2H3/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	319	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Mus musculus)	BDBM50103560 (CHEMBL3357997) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N6O4S/c1-13-11-28(19-27-26-17(33-19)20(21,22)23)7-8-29(13)18-24-9-15(10-25-18)32-12-14-3-5-16(6-4-14)34(2,30)31/h3-6,9-10,13H,7-8,11-12H2,1-2H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	297	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Mus musculus)	BDBM50103562 (CHEMBL3357995) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N7O4S/c1-13-11-30(20-29-28-18(35-20)21(22,23)24)5-6-31(13)19-26-9-16(10-27-19)34-12-14-3-4-17(36(2,32)33)7-15(14)8-25/h3-4,7,9-10,13H,5-6,11-12H2,1-2H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Mus musculus)	BDBM50103563 (CHEMBL3357994) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F4N6O4S/c1-12-10-29(19-28-27-17(34-19)20(22,23)24)5-6-30(12)18-25-8-14(9-26-18)33-11-13-3-4-15(7-16(13)21)35(2,31)32/h3-4,7-9,12H,5-6,10-11H2,1-2H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	144	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Mus musculus)	BDBM50103564 (CHEMBL3218816) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C19H17F3N8O2/c1-12-10-29(18-28-27-16(32-18)19(20,21)22)4-5-30(12)17-25-8-15(9-26-17)31-11-13-2-3-24-7-14(13)6-23/h2-3,7-9,12H,4-5,10-11H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	436	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50103553 (CHEMBL3358004) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=N)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F4N7O3S/c1-13-10-31(20-30-29-18(35-20)21(23,24)25)5-6-32(13)19-27-8-16(9-28-19)34-11-15-4-3-14(7-17(15)22)12-36(2,26)33/h3-4,7-9,13,26H,5-6,10-12H2,1-2H3/t13-,36?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50103554 (CHEMBL3358003) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O3S/c1-13-10-30(20-29-28-18(34-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)33-11-15-4-3-14(7-17(15)22)12-35(2)32/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-,35?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50103555 (CHEMBL3358002) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F4N6O5S/c1-12-10-29(19-28-27-17(34-19)20(22,23)24)5-6-30(12)18-25-8-15(9-26-18)33-11-13-3-4-14(7-16(13)21)35-36(2,31)32/h3-4,7-9,12H,5-6,10-11H2,1-2H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50103556 (CHEMBL3358001) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-29-28-18(35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50103557 (CHEMBL3358000) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)-n2cnnn2)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F4N10O2/c1-12-9-32(19-29-28-17(36-19)20(22,23)24)4-5-33(12)18-25-7-15(8-26-18)35-10-13-2-3-14(6-16(13)21)34-11-27-30-31-34/h2-3,6-8,11-12H,4-5,9-10H2,1H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50103558 (CHEMBL3357999) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)C#N)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H17F4N7O2/c1-12-10-30(19-29-28-17(33-19)20(22,23)24)4-5-31(12)18-26-8-15(9-27-18)32-11-14-3-2-13(7-25)6-16(14)21/h2-3,6,8-9,12H,4-5,10-11H2,1H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50103559 (CHEMBL3357998) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N6O4S/c1-14-11-29(20-28-27-18(34-20)21(22,23)24)7-8-30(14)19-25-9-17(10-26-19)33-12-15-3-5-16(6-4-15)13-35(2,31)32/h3-6,9-10,14H,7-8,11-13H2,1-2H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50103560 (CHEMBL3357997) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N6O4S/c1-13-11-28(19-27-26-17(33-19)20(21,22)23)7-8-29(13)18-24-9-15(10-25-18)32-12-14-3-5-16(6-4-14)34(2,30)31/h3-6,9-10,13H,7-8,11-12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	133	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 57: 8984-98 (2014) Article DOI: 10.1021/jm5011012 BindingDB Entry DOI: 10.7270/Q29G5PK1
					More data for this Ligand-Target Pair

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