Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'tadepalli' and Initial = 'sm'   

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))	BDBM27973 (6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM27974 (5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phen...) Show SMILES Nc1cnc(cn1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C25H16ClFN6OS/c26-20-9-17(5-7-22(20)34-13-15-2-1-3-16(27)8-15)33-25-24-21(31-14-32-25)10-19(35-24)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM27971 (6-Ethynylthieno[3,2-d]pyrimidine, 6 | N-{3-chloro-...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM27973 (6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM27975 (6-Ethynylthieno[2,3-d]pyrimidine, 10 | N-{3-chloro...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-17-20(24-12-25-21(17)28-16)26-15-6-7-19(18(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM27971 (6-Ethynylthieno[3,2-d]pyrimidine, 6 | N-{3-chloro-...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM27972 (6-Ethynylthieno[3,2-d]pyrimidine, 7 | 6-[(3S)-3-am...) Show SMILES C[C@H](N)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C23H18ClFN4OS/c1-14(26)5-7-18-11-20-22(31-18)23(28-13-27-20)29-17-6-8-21(19(24)10-17)30-12-15-3-2-4-16(25)9-15/h2-4,6,8-11,13-14H,12,26H2,1H3,(H,27,28,29)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM27976 (6-Ethynylthieno[2,3-d]pyrimidine, 11 | 6-[(3S)-3-a...) Show SMILES C[C@H](N)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 |r| Show InChI InChI=1S/C23H18ClFN4OS/c1-14(26)5-7-18-11-19-22(27-13-28-23(19)31-18)29-17-6-8-21(20(24)10-17)30-12-15-3-2-4-16(25)9-15/h2-4,6,8-11,13-14H,12,26H2,1H3,(H,27,28,29)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM27974 (5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phen...) Show SMILES Nc1cnc(cn1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C25H16ClFN6OS/c26-20-9-17(5-7-22(20)34-13-15-2-1-3-16(27)8-15)33-25-24-21(31-14-32-25)10-19(35-24)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM27978 (5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phen...) Show SMILES Nc1cnc(cn1)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C25H16ClFN6OS/c26-21-9-17(5-7-22(21)34-13-15-2-1-3-16(27)8-15)33-24-20-10-19(35-25(20)32-14-31-24)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM27977 (6-Ethynylthieno[2,3-d]pyrimidine, 12 | N-{3-chloro...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-22-12-19(7-9-23(22)32-14-16-3-1-4-17(27)11-16)31-24-21-13-20(33-25(21)30-15-29-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM27972 (6-Ethynylthieno[3,2-d]pyrimidine, 7 | 6-[(3S)-3-am...) Show SMILES C[C@H](N)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C23H18ClFN4OS/c1-14(26)5-7-18-11-20-22(31-18)23(28-13-27-20)29-17-6-8-21(19(24)10-17)30-12-15-3-2-4-16(25)9-15/h2-4,6,8-11,13-14H,12,26H2,1H3,(H,27,28,29)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM27971 (6-Ethynylthieno[3,2-d]pyrimidine, 6 | N-{3-chloro-...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair				3D Structure (docked)
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM27973 (6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM27976 (6-Ethynylthieno[2,3-d]pyrimidine, 11 | 6-[(3S)-3-a...) Show SMILES C[C@H](N)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 |r| Show InChI InChI=1S/C23H18ClFN4OS/c1-14(26)5-7-18-11-19-22(27-13-28-23(19)31-18)29-17-6-8-21(20(24)10-17)30-12-15-3-2-4-16(25)9-15/h2-4,6,8-11,13-14H,12,26H2,1H3,(H,27,28,29)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM27975 (6-Ethynylthieno[2,3-d]pyrimidine, 10 | N-{3-chloro...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-17-20(24-12-25-21(17)28-16)26-15-6-7-19(18(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM27977 (6-Ethynylthieno[2,3-d]pyrimidine, 12 | N-{3-chloro...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-22-12-19(7-9-23(22)32-14-16-3-1-4-17(27)11-16)31-24-21-13-20(33-25(21)30-15-29-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM27974 (5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phen...) Show SMILES Nc1cnc(cn1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C25H16ClFN6OS/c26-20-9-17(5-7-22(20)34-13-15-2-1-3-16(27)8-15)33-25-24-21(31-14-32-25)10-19(35-24)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	254	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50414955 (CHEMBL576138) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3	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	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50414954 (CHEMBL575966) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	367	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM27978 (5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phen...) Show SMILES Nc1cnc(cn1)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C25H16ClFN6OS/c26-21-9-17(5-7-22(21)34-13-15-2-1-3-16(27)8-15)33-24-20-10-19(35-25(20)32-14-31-24)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM27972 (6-Ethynylthieno[3,2-d]pyrimidine, 7 | 6-[(3S)-3-am...) Show SMILES C[C@H](N)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C23H18ClFN4OS/c1-14(26)5-7-18-11-20-22(31-18)23(28-13-27-20)29-17-6-8-21(19(24)10-17)30-12-15-3-2-4-16(25)9-15/h2-4,6,8-11,13-14H,12,26H2,1H3,(H,27,28,29)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	412	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair				3D Structure (docked)
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM27976 (6-Ethynylthieno[2,3-d]pyrimidine, 11 | 6-[(3S)-3-a...) Show SMILES C[C@H](N)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 |r| Show InChI InChI=1S/C23H18ClFN4OS/c1-14(26)5-7-18-11-19-22(27-13-28-23(19)31-18)29-17-6-8-21(20(24)10-17)30-12-15-3-2-4-16(25)9-15/h2-4,6,8-11,13-14H,12,26H2,1H3,(H,27,28,29)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	638	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50414954 (CHEMBL575966) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50414955 (CHEMBL576138) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM27978 (5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phen...) Show SMILES Nc1cnc(cn1)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C25H16ClFN6OS/c26-21-9-17(5-7-22(21)34-13-15-2-1-3-16(27)8-15)33-24-20-10-19(35-25(20)32-14-31-24)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM27975 (6-Ethynylthieno[2,3-d]pyrimidine, 10 | N-{3-chloro...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-17-20(24-12-25-21(17)28-16)26-15-6-7-19(18(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair				3D Structure (docked)
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM27977 (6-Ethynylthieno[2,3-d]pyrimidine, 12 | N-{3-chloro...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-22-12-19(7-9-23(22)32-14-16-3-1-4-17(27)11-16)31-24-21-13-20(33-25(21)30-15-29-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50400413 (CHEMBL2177777) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O Show InChI InChI=1S/C22H27FN4O5S/c1-14(2)31-22(28)26-9-6-15(7-10-26)32-21-17-8-11-27(20(17)24-13-25-21)19-5-4-16(12-18(19)23)33(3,29)30/h4-5,12-15H,6-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 55: 10972-94 (2012) Article DOI: 10.1021/jm301404a BindingDB Entry DOI: 10.7270/Q2RJ4KMK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50414954 (CHEMBL575966) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50414954 (CHEMBL575966) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50414955 (CHEMBL576138) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3	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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50414955 (CHEMBL576138) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3	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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50414955 (CHEMBL576138) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3	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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50414954 (CHEMBL575966) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414955 (CHEMBL576138) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3	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	>5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of dofetilide from human ERG				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414954 (CHEMBL575966) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of dofetilide from human ERG				J Med Chem 52: 7962-5 (2009) Article DOI: 10.1021/jm901434t BindingDB Entry DOI: 10.7270/Q2Z89DPD
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50400364 (CHEMBL2181691) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1C)S(C)(=O)=O Show InChI InChI=1S/C23H30N4O5S/c1-15(2)31-23(28)26-10-7-17(8-11-26)32-22-19-9-12-27(21(19)24-14-25-22)20-6-5-18(13-16(20)3)33(4,29)30/h5-6,13-15,17H,7-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-expressing 6CRE-luciferase gene after 5 hrs by luciferase reporter gene assay				J Med Chem 55: 10972-94 (2012) Article DOI: 10.1021/jm301404a BindingDB Entry DOI: 10.7270/Q2RJ4KMK
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50400365 (CHEMBL2181690) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(c(F)c1)S(C)=O Show InChI InChI=1S/C22H27FN4O4S/c1-14(2)30-22(28)26-9-6-16(7-10-26)31-21-17-8-11-27(20(17)24-13-25-21)15-4-5-19(32(3)29)18(23)12-15/h4-5,12-14,16H,6-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50.1	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-expressing 6CRE-luciferase gene after 5 hrs by luciferase reporter gene assay				J Med Chem 55: 10972-94 (2012) Article DOI: 10.1021/jm301404a BindingDB Entry DOI: 10.7270/Q2RJ4KMK
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50400365 (CHEMBL2181690) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(c(F)c1)S(C)=O Show InChI InChI=1S/C22H27FN4O4S/c1-14(2)30-22(28)26-9-6-16(7-10-26)31-21-17-8-11-27(20(17)24-13-25-21)15-4-5-19(32(3)29)18(23)12-15/h4-5,12-14,16H,6-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-expressing 6CRE-luciferase gene after 5 hrs by luciferase reporter gene assay				J Med Chem 55: 10972-94 (2012) Article DOI: 10.1021/jm301404a BindingDB Entry DOI: 10.7270/Q2RJ4KMK
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50400366 (CHEMBL2181689) Show SMILES CSc1ccc(cc1F)N1CCc2c1ncnc2OC1CCN(CC1)C(=O)OC(C)C Show InChI InChI=1S/C22H27FN4O3S/c1-14(2)29-22(28)26-9-6-16(7-10-26)30-21-17-8-11-27(20(17)24-13-25-21)15-4-5-19(31-3)18(23)12-15/h4-5,12-14,16H,6-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-expressing 6CRE-luciferase gene after 5 hrs by luciferase reporter gene assay				J Med Chem 55: 10972-94 (2012) Article DOI: 10.1021/jm301404a BindingDB Entry DOI: 10.7270/Q2RJ4KMK
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50400367 (CHEMBL2181688) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1)S(=O)N(C)C Show InChI InChI=1S/C23H31N5O4S/c1-16(2)31-23(29)27-12-9-18(10-13-27)32-22-20-11-14-28(21(20)24-15-25-22)17-5-7-19(8-6-17)33(30)26(3)4/h5-8,15-16,18H,9-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-expressing 6CRE-luciferase gene after 5 hrs by luciferase reporter gene assay				J Med Chem 55: 10972-94 (2012) Article DOI: 10.1021/jm301404a BindingDB Entry DOI: 10.7270/Q2RJ4KMK
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50400368 (CHEMBL2181687) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(c(F)c1)S(C)(=O)=O Show InChI InChI=1S/C22H27FN4O5S/c1-14(2)31-22(28)26-9-6-16(7-10-26)32-21-17-8-11-27(20(17)24-13-25-21)15-4-5-19(18(23)12-15)33(3,29)30/h4-5,12-14,16H,6-11H2,1-3H3	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
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-expressing 6CRE-luciferase gene after 5 hrs by luciferase reporter gene assay				J Med Chem 55: 10972-94 (2012) Article DOI: 10.1021/jm301404a BindingDB Entry DOI: 10.7270/Q2RJ4KMK
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50400369 (CHEMBL2181686) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(C#N)c(F)c1 Show InChI InChI=1S/C22H24FN5O3/c1-14(2)30-22(29)27-8-5-17(6-9-27)31-21-18-7-10-28(20(18)25-13-26-21)16-4-3-15(12-24)19(23)11-16/h3-4,11,13-14,17H,5-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-expressing 6CRE-luciferase gene after 5 hrs by luciferase reporter gene assay				J Med Chem 55: 10972-94 (2012) Article DOI: 10.1021/jm301404a BindingDB Entry DOI: 10.7270/Q2RJ4KMK
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50400370 (CHEMBL2181685) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1cccnc1C Show InChI InChI=1S/C21H27N5O3/c1-14(2)28-21(27)25-10-6-16(7-11-25)29-20-17-8-12-26(19(17)23-13-24-20)18-5-4-9-22-15(18)3/h4-5,9,13-14,16H,6-8,10-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-expressing 6CRE-luciferase gene after 5 hrs by luciferase reporter gene assay				J Med Chem 55: 10972-94 (2012) Article DOI: 10.1021/jm301404a BindingDB Entry DOI: 10.7270/Q2RJ4KMK
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50400371 (CHEMBL2181684) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(F)cn1 Show InChI InChI=1S/C20H24FN5O3/c1-13(2)28-20(27)25-8-5-15(6-9-25)29-19-16-7-10-26(18(16)23-12-24-19)17-4-3-14(21)11-22-17/h3-4,11-13,15H,5-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-expressing 6CRE-luciferase gene after 5 hrs by luciferase reporter gene assay				J Med Chem 55: 10972-94 (2012) Article DOI: 10.1021/jm301404a BindingDB Entry DOI: 10.7270/Q2RJ4KMK
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50400372 (CHEMBL2181683) Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cn1)C#N Show InChI InChI=1S/C21H24N6O3/c1-14(2)29-21(28)26-8-5-16(6-9-26)30-20-17-7-10-27(19(17)24-13-25-20)18-4-3-15(11-22)12-23-18/h3-4,12-14,16H,5-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-expressing 6CRE-luciferase gene after 5 hrs by luciferase reporter gene assay				J Med Chem 55: 10972-94 (2012) Article DOI: 10.1021/jm301404a BindingDB Entry DOI: 10.7270/Q2RJ4KMK
					More data for this Ligand-Target Pair

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