Compile Data Set for Download or QSAR

Found 369 hits with Last Name = 'dejesus' and Initial = 'rk'   

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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50311121 (CHEMBL1079108 | N-(4-(2-amino-2-methylpropyl)pheny...) Show SMILES CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC(C)(C)c3cccc4ccccc34)cc2)cc1 Show InChI InChI=1S/C30H34N4O3S/c1-29(2,31)20-21-12-14-24(15-13-21)34-38(36,37)25-18-16-23(17-19-25)32-28(35)33-30(3,4)27-11-7-9-22-8-5-6-10-26(22)27/h5-19,34H,20,31H2,1-4H3,(H2,32,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS-R1a				Bioorg Med Chem Lett 19: 6237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.08.076 BindingDB Entry DOI: 10.7270/Q2V124X7
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363473 ((S)-9-(2-(6-(1H-tetrazol-1- yl)pyridin-3-yl)-2-hyd...) Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(C[C@@H](O)c3ccc(nc3)-n3cnnn3)CC2)C1=O |r,t:1| Show InChI InChI=1S/C21H25N7O5/c1-14-16(12-32-19(14)30)27-8-9-33-21(20(27)31)4-6-26(7-5-21)11-17(29)15-2-3-18(22-10-15)28-13-23-24-25-28/h2-3,10,13,17,29H,4-9,11-12H2,1H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363475 (9-(2-(4-(1H-tetrazol-1- yl)phenyl)-2-hydroxyethyl)...) Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(cc3)-n3cnnn3)CC2)C1=O |t:1| Show InChI InChI=1S/C22H26N6O5/c1-15-18(13-32-20(15)30)27-10-11-33-22(21(27)31)6-8-26(9-7-22)12-19(29)16-2-4-17(5-3-16)28-14-23-24-25-28/h2-5,14,19,29H,6-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363474 ((R)-9-(2-hydroxy-2-(4-methyl-1- oxo-1,3-dihydroiso...) Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O7/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-7-5-24(6-8-25)23(30)26(9-10-33-24)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363472 (US9850245, Example 6A) Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(C[C@@H](F)c3ccc(nc3)-n3cnnn3)CC2)C1=O |r,t:1| Show InChI InChI=1S/C21H24FN7O4/c1-14-17(12-32-19(14)30)28-8-9-33-21(20(28)31)4-6-27(7-5-21)11-16(22)15-2-3-18(23-10-15)29-13-24-25-26-29/h2-3,10,13,16H,4-9,11-12H2,1H3/t16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363493 (Typical Example for Hydroamination | US9850245, Ex...) Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CCc3ccc(nn3)-n3cnnn3)CC2)C1=O |t:1| Show InChI InChI=1S/C20H24N8O4/c1-14-16(12-31-18(14)29)27-10-11-32-20(19(27)30)5-8-26(9-6-20)7-4-15-2-3-17(23-22-15)28-13-21-24-25-28/h2-3,13H,4-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50311117 (CHEMBL1078900 | N-(4-(2-amino-2-methylpropyl)pheny...) Show SMILES CC(C)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 Show InChI InChI=1S/C26H32N4O3S/c1-18(2)20-7-11-21(12-8-20)28-25(31)29-22-13-15-24(16-14-22)34(32,33)30-23-9-5-19(6-10-23)17-26(3,4)27/h5-16,18,30H,17,27H2,1-4H3,(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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 Inhibition of human GHS-R1a				Bioorg Med Chem Lett 19: 6237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.08.076 BindingDB Entry DOI: 10.7270/Q2V124X7
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM426051 (US10513518, Example 41) Show SMILES Cc1cc(ccc1C(O)CN1CCC2(CCCN(C3=CC(=O)CC3)C2=O)CC1)-n1cnnn1 |t:19| Show InChI InChI=1S/C24H30N6O3/c1-17-13-19(30-16-25-26-27-30)4-6-21(17)22(32)15-28-11-8-24(9-12-28)7-2-10-29(23(24)33)18-3-5-20(31)14-18/h4,6,13-14,16,22,32H,2-3,5,7-12,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description 1. Seed HEK-hKir1.1 cells (50 μl at 20,000 cells/well) in 384-well PDL coated Microplates2. Allow cells to adhere overnight in humidified 37° C....				US Patent US10513518 (2019) BindingDB Entry DOI: 10.7270/Q2057JB3
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM426044 (US10513518, Example 34) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN(C3=CC(=O)CC3)C2=O)CC1 |r,t:24| Show InChI InChI=1S/C25H30N2O5/c1-16-19(5-6-20-21(16)15-32-23(20)30)22(29)14-26-11-8-25(9-12-26)7-2-10-27(24(25)31)17-3-4-18(28)13-17/h5-6,13,22,29H,2-4,7-12,14-15H2,1H3/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description 1. Seed HEK-hKir1.1 cells (50 μl at 20,000 cells/well) in 384-well PDL coated Microplates2. Allow cells to adhere overnight in humidified 37° C....				US Patent US10513518 (2019) BindingDB Entry DOI: 10.7270/Q2057JB3
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363483 (4-(9-(2-hydroxy-2-(2-methyl-6- (1H-tetrazol-1-yl)p...) Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(nc3C)-n3cnnn3)CC2)C1 |t:1| Show InChI InChI=1S/C22H29N7O4/c1-15-18(12-32-21(15)31)28-9-10-33-22(13-28)5-7-27(8-6-22)11-19(30)17-3-4-20(24-16(17)2)29-14-23-25-26-29/h3-4,14,19,30H,5-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM162868 (US9056859, 11) Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCCN(CCc2ccc3C(=O)OCc3c2)CC1 Show InChI InChI=1S/C24H26N6O3/c31-23(15-18-2-5-21(6-3-18)30-17-25-26-27-30)29-10-1-9-28(12-13-29)11-8-19-4-7-22-20(14-19)16-33-24(22)32/h2-7,14,17H,1,8-13,15-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMKI) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9056859 (2015) BindingDB Entry DOI: 10.7270/Q20P0XS0
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363477 (9-(2-(5-(1H-tetrazol-1- yl)pyrazin-2-yl)-2- hydrox...) Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3cnc(cn3)-n3cnnn3)CC2)C1=O |t:1| Show InChI InChI=1S/C20H24N8O5/c1-13-15(11-32-18(13)30)27-6-7-33-20(19(27)31)2-4-26(5-3-20)10-16(29)14-8-22-17(9-21-14)28-12-23-24-25-28/h8-9,12,16,29H,2-7,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50311092 ((S)-4-(3-hexylureido)-N-(4-(2-(2-hydroxy-3-(4-hydr...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)COc2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C32H44N4O6S/c1-4-5-6-7-20-33-31(39)35-25-12-18-30(19-13-25)43(40,41)36-26-10-8-24(9-11-26)21-32(2,3)34-22-28(38)23-42-29-16-14-27(37)15-17-29/h8-19,28,34,36-38H,4-7,20-23H2,1-3H3,(H2,33,35,39)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK0677 from human GHS-R1a				Bioorg Med Chem Lett 19: 6237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.08.076 BindingDB Entry DOI: 10.7270/Q2V124X7
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363488 (9-(2-hydroxy-2-(2-methyl-6-(1H- tetrazol-1-yl)pyri...) Show SMILES CC1=C(COC1=O)N1CCCOC2(CCN(CC(O)c3ccc(nc3C)-n3cnnn3)CC2)C1=O |t:1| Show InChI InChI=1S/C23H29N7O5/c1-15-18(13-34-21(15)32)29-8-3-11-35-23(22(29)33)6-9-28(10-7-23)12-19(31)17-4-5-20(25-16(17)2)30-14-24-26-27-30/h4-5,14,19,31H,3,6-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363487 ((1R,2'R,5S)-8-((R)-2-hydroxy-2- (4-methyl-1-oxo-1,...) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1C2CCC1CC1(C2)OCCN(C2=CC(=O)OC2)C1=O |r,t:30,TLB:32:20:14:16.17,13:14:19.20.21:16.17,THB:22:20:14:16.17| Show InChI InChI=1S/C25H28N2O7/c1-14-18(4-5-19-20(14)13-33-23(19)30)21(28)11-27-15-2-3-16(27)10-25(9-15)24(31)26(6-7-34-25)17-8-22(29)32-12-17/h4-5,8,15-16,21,28H,2-3,6-7,9-13H2,1H3/t15?,16?,21-,25?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50311116 (CHEMBL1078899 | N-(4-(2-amino-2-methylpropyl)pheny...) Show SMILES CCc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 Show InChI InChI=1S/C25H30N4O3S/c1-4-18-5-9-20(10-6-18)27-24(30)28-21-13-15-23(16-14-21)33(31,32)29-22-11-7-19(8-12-22)17-25(2,3)26/h5-16,29H,4,17,26H2,1-3H3,(H2,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 human GHS-R1a				Bioorg Med Chem Lett 19: 6237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.08.076 BindingDB Entry DOI: 10.7270/Q2V124X7
					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
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363489 (9-(2-(6-(1H-tetrazol-1- yl)pyridazin-3-yl)-2- hydr...) Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(nn3)-n3cnnn3)CC2)C1=O |t:1| Show InChI InChI=1S/C20H24N8O5/c1-13-15(11-32-18(13)30)27-8-9-33-20(19(27)31)4-6-26(7-5-20)10-16(29)14-2-3-17(23-22-14)28-12-21-24-25-28/h2-3,12,16,29H,4-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM426049 (US10513518, Example 39 | US10513518, Example 40) Show SMILES CC1=C(CCC1=O)N1CCC2(CCCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C26H32N2O5/c1-16-18(4-5-19-20(16)15-33-24(19)31)23(30)14-27-11-3-8-26(9-12-27)10-13-28(25(26)32)21-6-7-22(29)17(21)2/h4-5,23,30H,3,6-15H2,1-2H3/t23-,26?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description 1. Seed HEK-hKir1.1 cells (50 μl at 20,000 cells/well) in 384-well PDL coated Microplates2. Allow cells to adhere overnight in humidified 37° C....				US Patent US10513518 (2019) BindingDB Entry DOI: 10.7270/Q2057JB3
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363492 ((R)-9-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisob...) Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CCc3ccc4C(=O)OCc4c3C)CC2)C1=O |t:1| Show InChI InChI=1S/C24H28N2O6/c1-15-17(3-4-18-19(15)13-30-22(18)28)5-8-25-9-6-24(7-10-25)23(29)26(11-12-32-24)20-14-31-21(27)16(20)2/h3-4H,5-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363485 (3-chloro-4-(9-(2-hydroxy-2-(2- methyl-6-(1H-tetraz...) Show SMILES Cc1nc(ccc1C(O)CN1CCC2(CC1)CN(CCO2)C1=C(Cl)C(=O)OC1)-n1cnnn1 |c:24| Show InChI InChI=1S/C21H26ClN7O4/c1-14-15(2-3-18(24-14)29-13-23-25-26-29)17(30)10-27-6-4-21(5-7-27)12-28(8-9-33-21)16-11-32-20(31)19(16)22/h2-3,13,17,30H,4-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50311119 (CHEMBL1079091 | N-(4-(2-amino-2-methylpropyl)pheny...) Show SMILES CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(C)(C)C)cc2)cc1 Show InChI InChI=1S/C27H34N4O3S/c1-26(2,3)20-8-12-21(13-9-20)29-25(32)30-22-14-16-24(17-15-22)35(33,34)31-23-10-6-19(7-11-23)18-27(4,5)28/h6-17,31H,18,28H2,1-5H3,(H2,29,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS-R1a				Bioorg Med Chem Lett 19: 6237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.08.076 BindingDB Entry DOI: 10.7270/Q2V124X7
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM426043 (US10513518, Example 33) Show SMILES Cc1nc(ccc1C(O)CN1CCC2(CCCN(C3=CC(=O)CC3)C2=O)CC1)-n1cnnn1 |t:19| Show InChI InChI=1S/C23H29N7O3/c1-16-19(5-6-21(25-16)30-15-24-26-27-30)20(32)14-28-11-8-23(9-12-28)7-2-10-29(22(23)33)17-3-4-18(31)13-17/h5-6,13,15,20,32H,2-4,7-12,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description 1. Seed HEK-hKir1.1 cells (50 μl at 20,000 cells/well) in 384-well PDL coated Microplates2. Allow cells to adhere overnight in humidified 37° C....				US Patent US10513518 (2019) BindingDB Entry DOI: 10.7270/Q2057JB3
					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
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))	BDBM363489 (9-(2-(6-(1H-tetrazol-1- yl)pyridazin-3-yl)-2- hydr...) Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(nn3)-n3cnnn3)CC2)C1=O |t:1| Show InChI InChI=1S/C20H24N8O5/c1-13-15(11-32-18(13)30)27-8-9-33-20(19(27)31)4-6-26(7-5-20)10-16(29)14-2-3-17(23-22-14)28-12-21-24-25-28/h2-3,12,16,29H,4-11H2,1H3	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 Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM162872 (US9056859, 72) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1 Show InChI InChI=1S/C23H25N7O3/c1-16-18(3-4-19-20(16)14-33-23(19)32)6-7-28-8-10-29(11-9-28)22(31)12-17-2-5-21(24-13-17)30-15-25-26-27-30/h2-5,13,15H,6-12,14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMKI) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9056859 (2015) BindingDB Entry DOI: 10.7270/Q20P0XS0
					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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50311120 (CHEMBL1079107 | N-(4-(2-amino-2-methylpropyl)pheny...) Show SMILES CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3cccc4ccccc34)cc2)cc1 Show InChI InChI=1S/C28H30N4O3S/c1-28(2,29)18-20-10-12-24(13-11-20)32-36(34,35)25-16-14-23(15-17-25)31-27(33)30-19-22-8-5-7-21-6-3-4-9-26(21)22/h3-17,32H,18-19,29H2,1-2H3,(H2,30,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS-R1a				Bioorg Med Chem Lett 19: 6237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.08.076 BindingDB Entry DOI: 10.7270/Q2V124X7
					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	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
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
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363245 (US9850245, Example 2A) Show SMILES CC1=C(COC1=O)N1CCNC2(CCN(CC(O)c3ccc(nc3C)-n3cnnn3)CC2)C1=O |t:1| Show InChI InChI=1S/C22H28N8O4/c1-14-17(12-34-20(14)32)29-10-7-23-22(21(29)33)5-8-28(9-6-22)11-18(31)16-3-4-19(25-15(16)2)30-13-24-26-27-30/h3-4,13,18,23,31H,5-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363486 ((R)-9-(2-hydroxy-2-(4-methyl-1- oxo-1,3-dihydroiso...) Show SMILES CN1CCN(C2=C(C)C(=O)OC2)C(=O)C11CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r,c:5| Show InChI InChI=1S/C25H31N3O6/c1-15-17(4-5-18-19(15)13-33-23(18)31)21(29)12-27-8-6-25(7-9-27)24(32)28(11-10-26(25)3)20-14-34-22(30)16(20)2/h4-5,21,29H,6-14H2,1-3H3/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50311118 (CHEMBL1078982 | N-(4-(2-amino-2-methylpropyl)pheny...) Show SMILES CCCCc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 Show InChI InChI=1S/C27H34N4O3S/c1-4-5-6-20-7-11-22(12-8-20)29-26(32)30-23-15-17-25(18-16-23)35(33,34)31-24-13-9-21(10-14-24)19-27(2,3)28/h7-18,31H,4-6,19,28H2,1-3H3,(H2,29,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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 Inhibition of human GHS-R1a				Bioorg Med Chem Lett 19: 6237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.08.076 BindingDB Entry DOI: 10.7270/Q2V124X7
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM363483 (4-(9-(2-hydroxy-2-(2-methyl-6- (1H-tetrazol-1-yl)p...) Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(nc3C)-n3cnnn3)CC2)C1 |t:1| Show InChI InChI=1S/C22H29N7O4/c1-15-18(12-32-21(15)31)28-9-10-33-22(13-28)5-7-27(8-6-22)11-19(30)17-3-4-20(24-16(17)2)29-14-23-25-26-29/h3-4,14,19,30H,5-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...				US Patent US9850245 (2017) BindingDB Entry DOI: 10.7270/Q2H70J3N
					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))	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))	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))	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))	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))	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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50311096 (CHEMBL1079046 | N-(4-(2-(ethylamino)-2-methylpropy...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CC(C)(C)NCC)cc1 Show InChI InChI=1S/C25H38N4O3S/c1-5-7-8-9-18-26-24(30)28-21-14-16-23(17-15-21)33(31,32)29-22-12-10-20(11-13-22)19-25(3,4)27-6-2/h10-17,27,29H,5-9,18-19H2,1-4H3,(H2,26,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS-R1a				Bioorg Med Chem Lett 19: 6237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.08.076 BindingDB Entry DOI: 10.7270/Q2V124X7
					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))	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
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

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