Compile Data Set for Download or QSAR

Found 452 hits with Last Name = 'frie' and Initial = 'jl'   

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
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50122920 (6-[2-(2,3-Dichloro-phenyl)-imidazo[1,2-a]pyridin-3...) Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H16Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-14H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM50122914 (6-(2-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-y...) Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9| Show InChI InChI=1S/C24H18F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM50122915 (2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...) Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16| Show InChI InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM50122916 (6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...) Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1Cl Show InChI InChI=1S/C24H16ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50122915 (2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...) Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(F)c1 |t:16| Show InChI InChI=1S/C23H14Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181758 (US9139585, 34B) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(nc2)-n2cnnn2)CC1 |r| Show InChI InChI=1S/C23H27N7O4/c1-15-17(3-4-18-19(15)13-34-23(18)33)21(32)12-29-8-6-28(7-9-29)11-20(31)16-2-5-22(24-10-16)30-14-25-26-27-30/h2-5,10,14,20-21,31-32H,6-9,11-13H2,1H3/t20-,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM50122922 (6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...) Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(Cl)c1 |(2.33,-8.2,;3.67,-7.43,;3.51,-5.89,;4.77,-5,;6.17,-5.63,;7.4,-4.74,;8.87,-5.23,;9.78,-3.99,;11.32,-3.83,;11.95,-2.43,;11.04,-1.17,;9.52,-1.34,;8.89,-2.73,;7.42,-3.2,;6.1,-2.41,;4.76,-3.18,;3.43,-2.41,;3.44,-.87,;2.11,-.1,;4.77,-.12,;6.1,-.87,;4.77,1.42,;6.1,2.19,;7.44,1.42,;6.1,3.75,;4.77,4.52,;3.44,3.73,;3.44,2.19,;2.1,1.42,;6.32,-7.16,;7.73,-7.79,;5.09,-8.06,)| Show InChI InChI=1S/C23H12Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM50122908 (6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...) Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1Cl |c:9| Show InChI InChI=1S/C24H18ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50122914 (6-(2-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-y...) Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1F |c:9| Show InChI InChI=1S/C24H18F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181748 (US9139585, 38A) Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C27H32N2O6/c1-16-11-19-12-18(3-4-21(19)27(33)35-16)24(30)13-28-7-9-29(10-8-28)14-25(31)20-5-6-22-23(17(20)2)15-34-26(22)32/h3-6,12,16,24-25,30-31H,7-11,13-15H2,1-2H3/t16-,24+,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181768 (US9139585, 44B) Show SMILES COc1cc(ncc1C#N)C(O)CN1CCN(CC(O)c2ccc3C(=O)O[C@H](C)Cc3c2)CC1 |r| Show InChI InChI=1S/C25H30N4O5/c1-16-9-18-10-17(3-4-20(18)25(32)34-16)22(30)14-28-5-7-29(8-6-28)15-23(31)21-11-24(33-2)19(12-26)13-27-21/h3-4,10-11,13,16,22-23,30-31H,5-9,14-15H2,1-2H3/t16-,22?,23?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50122916 (6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...) Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1Cl Show InChI InChI=1S/C24H16ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-14H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM312670 (US9604998, Example 69) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r| Show InChI InChI=1S/C26H28N2O5/c1-16-17(2-5-22-23(16)15-33-26(22)30)6-7-27-8-9-28-12-24(31-14-20(28)11-27)18-3-4-21-19(10-18)13-32-25(21)29/h2-5,10,20,24H,6-9,11-15H2,1H3/t20-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9604998 (2017) BindingDB Entry DOI: 10.7270/Q2XW4MWK
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181737 (US9139585, 30) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1 |r| Show InChI InChI=1S/C26H30N2O5/c1-17-20(4-5-22-23(17)16-33-26(22)31)24(29)15-28-11-9-27(10-12-28)8-6-18-2-3-21-19(14-18)7-13-32-25(21)30/h2-5,14,24,29H,6-13,15-16H2,1H3/t24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181711 (US9139585, 6 | US9139585, 9) Show SMILES COc1cc(ncc1C#N)C(O)CN1C2CCC1C1CCC2N1C[C@H](O)c1ccc2C(=O)OCc2c1C |r,TLB:20:21:13:15.16,19:18:13:15.16,12:13:22:20.19,THB:15:14:22:20.19,16:17:22:20.19,23:22:13:15.16| Show InChI InChI=1S/C28H32N4O5/c1-15-17(3-4-18-19(15)14-37-28(18)35)25(33)12-31-21-5-6-22(31)24-8-7-23(21)32(24)13-26(34)20-9-27(36-2)16(10-29)11-30-20/h3-4,9,11,21-26,33-34H,5-8,12-14H2,1-2H3/t21?,22?,23?,24?,25-,26?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50122908 (6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...) Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1ccc(F)cc1Cl |c:9| Show InChI InChI=1S/C24H18ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM50122918 (2-(2,6-Dichloro-phenyl)-6-[2-(2,4-difluoro-phenyl)...) Show SMILES Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(F)c1 |(2.09,-8.15,;3.43,-7.39,;3.28,-5.85,;4.53,-4.95,;5.93,-5.59,;7.18,-4.69,;8.64,-5.17,;9.55,-3.93,;11.08,-3.78,;11.71,-2.38,;10.81,-1.13,;9.28,-1.28,;8.65,-2.67,;7.18,-3.15,;5.86,-2.37,;4.51,-3.14,;3.18,-2.36,;3.2,-.83,;1.87,-.05,;4.53,-.05,;5.87,-.82,;4.53,1.49,;5.87,2.26,;7.2,1.49,;5.87,3.8,;4.53,4.57,;3.2,3.8,;3.2,2.26,;1.85,1.49,;6.08,-7.11,;7.5,-7.74,;4.84,-8.02,)| Show InChI InChI=1S/C23H12Cl2F2N4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(26)12-17(14)27)28-19-6-1-2-11-30(19)23/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM15244 (5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...) Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)| Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM50122920 (6-[2-(2,3-Dichloro-phenyl)-imidazo[1,2-a]pyridin-3...) Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H16Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181711 (US9139585, 6 | US9139585, 9) Show SMILES COc1cc(ncc1C#N)C(O)CN1C2CCC1C1CCC2N1C[C@H](O)c1ccc2C(=O)OCc2c1C |r,TLB:20:21:13:15.16,19:18:13:15.16,12:13:22:20.19,THB:15:14:22:20.19,16:17:22:20.19,23:22:13:15.16| Show InChI InChI=1S/C28H32N4O5/c1-15-17(3-4-18-19(15)14-37-28(18)35)25(33)12-31-21-5-6-22(31)24-8-7-23(21)32(24)13-26(34)20-9-27(36-2)16(10-29)11-30-20/h3-4,9,11,21-26,33-34H,5-8,12-14H2,1-2H3/t21?,22?,23?,24?,25-,26?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50264232 (2-(3-(6-hydroxynaphthalen-2-yl)propanamido)benzoic...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H17NO4/c22-16-9-8-14-11-13(5-7-15(14)12-16)6-10-19(23)21-18-4-2-1-3-17(18)20(24)25/h1-5,7-9,11-12,22H,6,10H2,(H,21,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181760 (US9139585, 36B) Show SMILES Cc1nc(ccc1[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1 |r| Show InChI InChI=1S/C24H29N7O4/c1-15-17(3-4-19-20(15)13-35-24(19)34)21(32)11-29-7-9-30(10-8-29)12-22(33)18-5-6-23(26-16(18)2)31-14-25-27-28-31/h3-6,14,21-22,32-33H,7-13H2,1-2H3/t21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM50122913 (6-[2-(2,4-Difluoro-phenyl)-imidazo[1,2-a]pyridin-3...) Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1F Show InChI InChI=1S/C24H16F2N4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(25)14-18(17)26)27-21-8-4-5-13-29(21)24/h2-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11 (Mus musculus (mouse))	BDBM50122916 (6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...) Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1ccc(F)cc1Cl Show InChI InChI=1S/C24H16ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [gamma-33P]-ATP binding from active recombinant murine FLAG-Mitogen-activated protein kinase p38 beta fusion protein (GST-ATF2)				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181745 (US9139585, 35A) Show SMILES Cc1cc(ncc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1 |r| Show InChI InChI=1S/C24H29N7O4/c1-15-9-23(31-14-26-27-28-31)25-10-19(15)22(33)12-30-7-5-29(6-8-30)11-21(32)17-3-4-18-20(16(17)2)13-35-24(18)34/h3-4,9-10,14,21-22,32-33H,5-8,11-13H2,1-2H3/t21-,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181762 (US9139585, 38B) Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C27H32N2O6/c1-16-11-19-12-18(3-4-21(19)27(33)35-16)24(30)13-28-7-9-29(10-8-28)14-25(31)20-5-6-22-23(17(20)2)15-34-26(22)32/h3-6,12,16,24-25,30-31H,7-11,13-15H2,1-2H3/t16-,24-,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181725 (US9139585, 20) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2COCC(C1)N2CC(O)c1ccc(cn1)[N+]#[C-] |r,TLB:13:14:22:17.19.18| Show InChI InChI=1S/C25H28N4O5/c1-15-19(4-5-20-21(15)14-34-25(20)32)23(30)10-28-8-17-12-33-13-18(9-28)29(17)11-24(31)22-6-3-16(26-2)7-27-22/h3-7,17-18,23-24,30-31H,8-14H2,1H3/t17?,18?,23-,24?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29.5	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM290026 (US9573961, Example 1A) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C25H26N6O4/c1-16-20(6-7-21-22(16)14-35-25(21)33)23-12-29-8-9-30(11-19(29)13-34-23)24(32)10-17-2-4-18(5-3-17)31-15-26-27-28-31/h2-7,15,19,23H,8-14H2,1H3/t19-,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9573961 (2017) BindingDB Entry DOI: 10.7270/Q241704N
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181723 (US9139585, 18) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2COCC(C1)N2C[C@H](O)c1ccc2C(=O)OCc2c1C |r,TLB:13:14:22:17.19.18| Show InChI InChI=1S/C28H32N2O7/c1-15-19(3-5-21-23(15)13-36-27(21)33)25(31)9-29-7-17-11-35-12-18(8-29)30(17)10-26(32)20-4-6-22-24(16(20)2)14-37-28(22)34/h3-6,17-18,25-26,31-32H,7-14H2,1-2H3/t17?,18?,25-,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM312671 (US9604998, Example 70) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r| Show InChI InChI=1S/C26H28N2O5/c1-16-17(2-5-22-23(16)15-33-26(22)30)6-7-27-8-9-28-12-24(31-14-20(28)11-27)18-3-4-21-19(10-18)13-32-25(21)29/h2-5,10,20,24H,6-9,11-15H2,1H3/t20-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9604998 (2017) BindingDB Entry DOI: 10.7270/Q2XW4MWK
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM312606 (US9604998, Example 12) Show SMILES Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r| Show InChI InChI=1S/C26H28N2O6/c1-15-19(4-5-21-22(15)14-34-26(21)31)23(29)10-27-6-7-28-11-24(32-13-18(28)9-27)16-2-3-20-17(8-16)12-33-25(20)30/h2-5,8,18,23-24,29H,6-7,9-14H2,1H3/t18-,23+,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9604998 (2017) BindingDB Entry DOI: 10.7270/Q2XW4MWK
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181761 (US9139585, 37B) Show SMILES C[C@H]1Cc2cc(ccc2C(=O)O1)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C27H32N2O6/c1-16-11-19-12-18(3-4-21(19)27(33)35-16)24(30)13-28-7-9-29(10-8-28)14-25(31)20-5-6-22-23(17(20)2)15-34-26(22)32/h3-6,12,16,24-25,30-31H,7-11,13-15H2,1-2H3/t16-,24+,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31.5	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181727 (US9139585, 22) Show SMILES C[C@H]1Cc2cc(CCN3CC4COCC(C3)N4C[C@H](O)c3ccc4C(=O)OCc4c3C)ccc2C(=O)O1 |r,THB:7:8:16:11.13.12| Show InChI InChI=1S/C29H34N2O6/c1-17-9-20-10-19(3-4-24(20)29(34)37-17)7-8-30-11-21-14-35-15-22(12-30)31(21)13-27(32)23-5-6-25-26(18(23)2)16-36-28(25)33/h3-6,10,17,21-22,27,32H,7-9,11-16H2,1-2H3/t17-,21?,22?,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181759 (US9139585, 35B) Show SMILES Cc1cc(ncc1[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1 |r| Show InChI InChI=1S/C24H29N7O4/c1-15-9-23(31-14-26-27-28-31)25-10-19(15)22(33)12-30-7-5-29(6-8-30)11-21(32)17-3-4-18-20(16(17)2)13-35-24(18)34/h3-4,9-10,14,21-22,32-33H,5-8,11-13H2,1-2H3/t21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32.5	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181733 (US9139585, 28) Show SMILES C[C@@H]1Cc2cc(CCN3CCN(C[C@H](O)c4ccc5C(=O)OCc5c4C)CC3)ccc2C(=O)O1 |r| Show InChI InChI=1S/C27H32N2O5/c1-17-13-20-14-19(3-4-22(20)27(32)34-17)7-8-28-9-11-29(12-10-28)15-25(30)21-5-6-23-24(18(21)2)16-33-26(23)31/h3-6,14,17,25,30H,7-13,15-16H2,1-2H3/t17-,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50264233 (2-(3-(6-aminonaphthalen-2-yl)propanamido)benzoic a...) Show SMILES Nc1ccc2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c1 Show InChI InChI=1S/C20H18N2O3/c21-16-9-8-14-11-13(5-7-15(14)12-16)6-10-19(23)22-18-4-2-1-3-17(18)20(24)25/h1-5,7-9,11-12H,6,10,21H2,(H,22,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 4963-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.030 BindingDB Entry DOI: 10.7270/Q2V124M6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181744 (US9139585, 34A) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc(nc2)-n2cnnn2)CC1 |r| Show InChI InChI=1S/C23H27N7O4/c1-15-17(3-4-18-19(15)13-34-23(18)33)21(32)12-29-8-6-28(7-9-29)11-20(31)16-2-5-22(24-10-16)30-14-25-26-27-30/h2-5,10,14,20-21,31-32H,6-9,11-13H2,1H3/t20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181743 (US9139585, 33) Show SMILES OC(CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1)c1ccc2C(=O)OCc2c1C(F)(F)F Show InChI InChI=1S/C26H27F3N2O5/c27-26(28,29)23-20(4-3-19-21(23)15-36-25(19)34)22(32)14-31-10-8-30(9-11-31)7-5-16-1-2-18-17(13-16)6-12-35-24(18)33/h1-4,13,22,32H,5-12,14-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM312659 (US9604998, Example 59) Show SMILES COc1cc(CCN2CCN3C[C@@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2)ccc1C#N |r| Show InChI InChI=1S/C25H27N3O4/c1-30-23-10-17(2-3-19(23)12-26)6-7-27-8-9-28-14-24(31-16-21(28)13-27)18-4-5-22-20(11-18)15-32-25(22)29/h2-5,10-11,21,24H,6-9,13-16H2,1H3/t21-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9604998 (2017) BindingDB Entry DOI: 10.7270/Q2XW4MWK
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM312664 (US9604998, Example 64) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3)C[C@H]2CO1 |r| Show InChI InChI=1S/C26H28N2O5/c1-16-20(4-5-22-23(16)15-33-26(22)30)24-12-28-9-8-27(11-19(28)14-31-24)7-6-17-2-3-21-18(10-17)13-32-25(21)29/h2-5,10,19,24H,6-9,11-15H2,1H3/t19-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9604998 (2017) BindingDB Entry DOI: 10.7270/Q2XW4MWK
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM312663 (US9604998, Example 63) Show SMILES O=C1OCc2cc(CCN3CCN4C[C@@H](OC[C@@H]4C3)c3ccc4C(=O)OCc4c3)ccc12 |r| Show InChI InChI=1S/C25H26N2O5/c28-24-21-3-1-16(9-18(21)13-31-24)5-6-26-7-8-27-12-23(30-15-20(27)11-26)17-2-4-22-19(10-17)14-32-25(22)29/h1-4,9-10,20,23H,5-8,11-15H2/t20-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9604998 (2017) BindingDB Entry DOI: 10.7270/Q2XW4MWK
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM312662 (US9604998, Example 62) Show SMILES O=C1OCc2cc(CCN3CCN4C[C@H](OC[C@@H]4C3)c3ccc4C(=O)OCc4c3)ccc12 |r| Show InChI InChI=1S/C25H26N2O5/c28-24-21-3-1-16(9-18(21)13-31-24)5-6-26-7-8-27-12-23(30-15-20(27)11-26)17-2-4-22-19(10-17)14-32-25(22)29/h1-4,9-10,20,23H,5-8,11-15H2/t20-,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9604998 (2017) BindingDB Entry DOI: 10.7270/Q2XW4MWK
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181707 (US9139585, 2) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)C(C)(C)C1 |r| Show InChI InChI=1S/C28H34N2O6/c1-16-18(5-7-20-22(16)13-35-26(20)33)24(31)11-29-9-10-30(28(3,4)15-29)12-25(32)19-6-8-21-23(17(19)2)14-36-27(21)34/h5-8,24-25,31-32H,9-15H2,1-4H3/t24-,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM50122911 (6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyri...) Show SMILES Fc1ccc(-c2nc3ccccn3c2C2=NN(C(=O)CC2)c2c(Cl)cccc2Cl)c(Cl)c1 |t:16| Show InChI InChI=1S/C23H14Cl3FN4O/c24-15-4-3-5-16(25)22(15)31-20(32)10-9-18(29-31)23-21(14-8-7-13(27)12-17(14)26)28-19-6-1-2-11-30(19)23/h1-8,11-12H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11 (Mus musculus (mouse))	BDBM50122920 (6-[2-(2,3-Dichloro-phenyl)-imidazo[1,2-a]pyridin-3...) Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c(nc2ccccn12)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H16Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [gamma-33P]-ATP binding from active recombinant murine FLAG-Mitogen-activated protein kinase p38 beta fusion protein (GST-ATF2)				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181726 (US9139585, 21) Show SMILES C[C@@H]1Cc2cc(CCN3CC4COCC(C3)N4C[C@H](O)c3ccc4C(=O)OCc4c3C)ccc2C(=O)O1 |r,THB:7:8:16:11.13.12| Show InChI InChI=1S/C29H34N2O6/c1-17-9-20-10-19(3-4-24(20)29(34)37-17)7-8-30-11-21-14-35-15-22(12-30)31(21)13-27(32)23-5-6-25-26(18(23)2)16-36-28(25)33/h3-6,10,17,21-22,27,32H,7-9,11-16H2,1-2H3/t17-,21?,22?,27+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181712 (US9139585, 7) Show SMILES Cc1nc(ccc1C#N)C(O)CN1C2CCC1C1CCC2N1C[C@H](O)c1ccc2C(=O)OCc2c1C |r,TLB:19:20:12:14.15,18:17:12:14.15,11:12:21:19.18,THB:14:13:21:19.18,15:16:21:19.18,22:21:12:14.15| Show InChI InChI=1S/C28H32N4O4/c1-15-18(4-5-19-20(15)14-36-28(19)35)26(33)12-31-22-7-8-23(31)25-10-9-24(22)32(25)13-27(34)21-6-3-17(11-29)16(2)30-21/h3-6,22-27,33-34H,7-10,12-14H2,1-2H3/t22?,23?,24?,25?,26-,27?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM181741 (US9139585, 32) Show SMILES CCc1c2COC(=O)c2ccc1C(O)CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1 Show InChI InChI=1S/C27H32N2O5/c1-2-20-22(5-6-23-24(20)17-34-27(23)32)25(30)16-29-12-10-28(11-13-29)9-7-18-3-4-21-19(15-18)8-14-33-26(21)31/h3-6,15,25,30H,2,7-14,16-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9139585 (2015) BindingDB Entry DOI: 10.7270/Q29P30F8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM50122910 (2-(2,6-Dichloro-phenyl)-6-[2-(4-fluoro-phenyl)-imi...) Show SMILES Fc1ccc(cc1)-c1nc2ccccn2c1-c1ccc(=O)n(n1)-c1c(Cl)cccc1Cl |(-4.28,-10.03,;-3.48,-8.71,;-4.22,-7.36,;-3.43,-6.05,;-1.89,-6.08,;-1.14,-7.42,;-1.94,-8.74,;-1.1,-4.75,;.4,-5.08,;1.17,-3.75,;2.67,-3.44,;3.16,-1.98,;2.13,-.83,;.62,-1.14,;.15,-2.6,;-1.27,-3.22,;-2.6,-2.44,;-3.93,-3.21,;-5.26,-2.43,;-5.26,-.9,;-6.59,-.13,;-3.92,-.13,;-2.59,-.9,;-3.92,1.41,;-5.25,2.18,;-6.59,1.41,;-5.25,3.72,;-3.92,4.49,;-2.59,3.73,;-2.58,2.18,;-1.25,1.41,)| Show InChI InChI=1S/C23H13Cl2FN4O/c24-16-4-3-5-17(25)22(16)30-20(31)12-11-18(28-30)23-21(14-7-9-15(26)10-8-14)27-19-6-1-2-13-29(19)23/h1-13H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcripti...				J Med Chem 46: 349-52 (2003) Article DOI: 10.1021/jm025585h BindingDB Entry DOI: 10.7270/Q27P8XRR
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50204280 (CHEMBL3987135 | US9573961, Example 15) Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C25H26N6O4/c32-24(11-17-1-4-20(5-2-17)31-16-26-27-28-31)30-9-8-29-14-23(35-15-21(29)13-30)19-3-6-22-18(12-19)7-10-34-25(22)33/h1-6,12,16,21,23H,7-11,13-15H2/t21-,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9573961 (2017) BindingDB Entry DOI: 10.7270/Q241704N
					More data for this Ligand-Target Pair

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