Compile Data Set for Download or QSAR

Found 2158 hits Enz. Inhib. hit(s) with Target = 'ATP-sensitive inward rectifier potassium channel 1'   

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
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50505262 (CHEMBL4559408) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C106H176N34O23S5/c1-11-56(6)83-103(161)138-84(57(7)12-2)104(162)139-85(58(8)13-3)105(163)140-40-25-33-79(140)102(160)132-72(44-61-48-117-54-121-61)96(154)127-69(34-41-164-10)92(150)134-76-51-167-168-52-77(135-94(152)70(42-55(4)5)128-87(145)59(9)111)100(158)131-74(46-81(113)142)98(156)136-78(101(159)130-73(45-80(112)141)97(155)126-68(93(151)137-83)32-24-39-118-106(115)116)53-166-165-50-75(88(146)120-49-82(143)122-65(29-17-21-36-108)89(147)123-64(86(114)144)28-16-20-35-107)133-91(149)67(31-19-23-38-110)124-90(148)66(30-18-22-37-109)125-95(153)71(129-99(76)157)43-60-47-119-63-27-15-14-26-62(60)63/h14-15,26-27,47-48,54-59,64-79,83-85,119H,11-13,16-25,28-46,49-53,107-111H2,1-10H3,(H2,112,141)(H2,113,142)(H2,114,144)(H,117,121)(H,120,146)(H,122,143)(H,123,147)(H,124,148)(H,125,153)(H,126,155)(H,127,154)(H,128,145)(H,129,157)(H,130,159)(H,131,158)(H,132,160)(H,133,149)(H,134,150)(H,135,152)(H,136,156)(H,137,151)(H,138,161)(H,139,162)(H4,115,116,118)/t56-,57-,58-,59-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,83-,84-,85-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of ROMK (unknown origin)				J Med Chem 62: 8682-8694 (2019) Article DOI: 10.1021/acs.jmedchem.8b01891 BindingDB Entry DOI: 10.7270/Q2GH9N7J
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ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									Neuropsychopharmacology 25: 871-80 (2001) Article DOI: 10.1016/S0893-133X(01)00298-6 BindingDB Entry DOI: 10.7270/Q25M648W
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ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50171290 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...) Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Synthelabo Recherche Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 905-14 (2004) Article DOI: 10.1124/jpet.104.067884 BindingDB Entry DOI: 10.7270/Q2RR1WTX
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ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									Neuropsychopharmacology 25: 871-80 (2001) Article DOI: 10.1016/S0893-133X(01)00298-6 BindingDB Entry DOI: 10.7270/Q25M648W
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM50022784 ((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...) Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									Neuropsychopharmacology 27: 699-711 (2002) Article DOI: 10.1016/S0893-133X(02)00346-9 BindingDB Entry DOI: 10.7270/Q2GQ6W98
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ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM21280 (5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Recherche Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 644-50 (1998) BindingDB Entry DOI: 10.7270/Q2D50KHT
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ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM50133817 (4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...) Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pudue Pharma Discovery Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 306: 377-86 (2003) Article DOI: 10.1124/jpet.102.045674 BindingDB Entry DOI: 10.7270/Q2TX3CX5
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ATP-sensitive inward rectifier potassium channel 11 (Homo sapiens (Human))	BDBM50049750 ((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...) Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Neuropharmacology 35: 725-34 (1996) Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N
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ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM50094703 (5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 1156-64 (2000) BindingDB Entry DOI: 10.7270/Q2DF6PSP
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456266 (((R)-1-(5-(((2-hydroxy-2- (4-methyl-1-oxo-1,3- dih...) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CNCc1ccc(nc1)-n1cc(cn1)C#N |r| Show InChI InChI=1S/C21H19N5O3/c1-13-16(3-4-17-18(13)12-29-21(17)28)19(27)10-23-7-14-2-5-20(24-8-14)26-11-15(6-22)9-25-26/h2-5,8-9,11,19,23,27H,7,10,12H2,1H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2), 1 Mg...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456266 (((R)-1-(5-(((2-hydroxy-2- (4-methyl-1-oxo-1,3- dih...) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CNCc1ccc(nc1)-n1cc(cn1)C#N |r| Show InChI InChI=1S/C21H19N5O3/c1-13-16(3-4-17-18(13)12-29-21(17)28)19(27)10-23-7-14-2-5-20(24-8-14)26-11-15(6-22)9-25-26/h2-5,8-9,11,19,23,27H,7,10,12H2,1H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Solutions and reagents: Thallium flux assay was performed using FluxOR kit (F10017, Life Technologies). Loading buffer, assay buffer and stimulus buf...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456149 (US10723723, Example 35) Show SMILES COc1c(CNC[C@H](O)c2ccc3C(=O)OCc3c2C)cnn1-c1cc(C)c(cn1)C#N |r| Show InChI InChI=1S/C23H23N5O4/c1-13-6-21(26-9-15(13)7-24)28-22(31-3)16(10-27-28)8-25-11-20(29)17-4-5-18-19(14(17)2)12-32-23(18)30/h4-6,9-10,20,25,29H,8,11-12H2,1-3H3/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Solutions and reagents: Thallium flux assay was performed using FluxOR kit (F10017, Life Technologies). Loading buffer, assay buffer and stimulus buf...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456226 ((R)-5'-(((2-hydroxy-2-(4- methyl-1-oxo-1,3- dihydr...) Show SMILES COc1cc(ncc1C#N)-c1ccc(CNC[C@H](O)c2ccc3C(=O)OCc3c2C)cn1 |r| Show InChI InChI=1S/C24H22N4O4/c1-14-17(4-5-18-19(14)13-32-24(18)30)22(29)12-26-9-15-3-6-20(27-10-15)21-7-23(31-2)16(8-25)11-28-21/h3-7,10-11,22,26,29H,9,12-13H2,1-2H3/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2), 1 Mg...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456268 ((R)-1-(5-(((2-hydroxy-2- (4-methyl-1-oxo-1,3- dihy...) Show SMILES Cc1nn(cc1C#N)-c1ccc(CNC[C@H](O)c2ccc3C(=O)OCc3c2C)cn1 |r| Show InChI InChI=1S/C22H21N5O3/c1-13-17(4-5-18-19(13)12-30-22(18)29)20(28)10-24-8-15-3-6-21(25-9-15)27-11-16(7-23)14(2)26-27/h3-6,9,11,20,24,28H,8,10,12H2,1-2H3/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2), 1 Mg...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456260 ((R)-6-(4-(((2-hydroxy-2- (4-methyl-1-oxo-1,3- dihy...) Show SMILES COc1cc(ncc1C#N)-n1cc(CNC[C@H](O)c2ccc3C(=O)OCc3c2C)cn1 |r| Show InChI InChI=1S/C22H21N5O4/c1-13-16(3-4-17-18(13)12-31-22(17)29)19(28)10-24-7-14-8-26-27(11-14)21-5-20(30-2)15(6-23)9-25-21/h3-5,8-9,11,19,24,28H,7,10,12H2,1-2H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Solutions and reagents: Thallium flux assay was performed using FluxOR kit (F10017, Life Technologies). Loading buffer, assay buffer and stimulus buf...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM194954 (US9206198, 7) Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat Kir1.1 expressed in HEK293 cells by electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00406 BindingDB Entry DOI: 10.7270/Q24M98D5
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ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM195013 (US9206198, 78 | US9206198, 79) Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CC(O)c3ccc4C(=O)OCc4c3Cl)CC2)C1=O |t:1| Show InChI InChI=1S/C23H25ClN2O6/c1-13-17(12-32-20(13)28)26-9-6-23(22(26)30)4-7-25(8-5-23)10-18(27)15-3-2-14-16(19(15)24)11-31-21(14)29/h2-3,18,27H,4-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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 ...				US Patent US9206198 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86FH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM265526 (US9718808, 44) Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc(cc2)-n2cnnn2)C1=O |r,wU:10.32,wD:13.17,t:1,(7.22,2.52,;7.99,1.18,;7.52,-.28,;8.76,-1.19,;10.01,-.28,;9.53,1.18,;10.3,2.52,;6.18,-1.05,;5.71,-2.52,;4.17,-2.52,;3.69,-1.05,;2.6,-2.14,;1.11,-1.74,;.72,-.25,;1.8,.83,;3.29,.44,;-.77,.14,;-1.86,-.95,;-3.35,-.55,;-4.44,-1.64,;-5.92,-1.24,;-6.32,.25,;-5.23,1.34,;-3.75,.94,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,;4.94,-.15,;4.54,1.34,)| Show InChI InChI=1S/C22H26N6O3/c1-15-19(13-31-20(15)29)27-11-10-22(21(27)30)8-6-17(7-9-22)23-12-16-2-4-18(5-3-16)28-14-24-25-26-28/h2-5,14,17,23H,6-13H2,1H3/t17-,22-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...				US Patent US9718808 (2017) BindingDB Entry DOI: 10.7270/Q2DJ5HNG
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM265519 (US9718808, 41) Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc(cc2)-n2ncnn2)C1=O |r,wU:10.32,wD:13.17,t:1,(7.22,2.52,;7.99,1.18,;7.52,-.28,;8.76,-1.19,;10.01,-.28,;9.53,1.18,;10.3,2.52,;6.18,-1.05,;5.71,-2.52,;4.17,-2.52,;3.69,-1.05,;2.6,-2.14,;1.11,-1.74,;.72,-.25,;1.8,.83,;3.29,.44,;-.77,.14,;-1.86,-.95,;-3.35,-.55,;-4.44,-1.64,;-5.92,-1.24,;-6.32,.25,;-5.23,1.34,;-3.75,.94,;-7.81,.65,;-9.06,-.26,;-10.3,.65,;-9.83,2.11,;-8.29,2.11,;4.94,-.15,;4.54,1.34,)| Show InChI InChI=1S/C22H26N6O3/c1-15-19(13-31-20(15)29)27-11-10-22(21(27)30)8-6-17(7-9-22)23-12-16-2-4-18(5-3-16)28-25-14-24-26-28/h2-5,14,17,23H,6-13H2,1H3/t17-,22-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...				US Patent US9718808 (2017) BindingDB Entry DOI: 10.7270/Q2DJ5HNG
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM266980 (US9718808, 109) Show SMILES CN(Cc1ccc(cc1)-n1ncnn1)[C@H]1CC[C@@]2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1 |r,wU:17.31,wD:14.15,c:23,(-1.47,.22,;-.7,-1.11,;-1.47,-2.44,;-3.01,-2.44,;-3.78,-3.78,;-5.32,-3.78,;-6.09,-2.44,;-5.32,-1.11,;-3.78,-1.11,;-7.63,-2.44,;-8.53,-3.69,;-10,-3.21,;-10,-1.67,;-8.53,-1.2,;.84,-1.11,;1.61,-2.44,;3.15,-2.44,;3.92,-1.11,;4.83,-2.36,;6.29,-1.88,;6.29,-.34,;7.63,.43,;7.63,1.97,;6.29,2.74,;9.09,2.44,;9.86,3.78,;10,1.2,;9.09,-.05,;4.83,.13,;4.06,1.47,;3.15,.22,;1.61,.22,)| Show InChI InChI=1S/C23H28N6O3/c1-16-20(14-32-21(16)30)28-12-11-23(22(28)31)9-7-18(8-10-23)27(2)13-17-3-5-19(6-4-17)29-25-15-24-26-29/h3-6,15,18H,7-14H2,1-2H3/t18-,23-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...				US Patent US9718808 (2017) BindingDB Entry DOI: 10.7270/Q2DJ5HNG
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456264 ((R)-3-(difluoromethoxy)- 1-(5-(((2-hydroxy-2-(4- m...) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CNCc1ccc(nc1)-n1cc(C#N)c(OC(F)F)n1 |r| Show InChI InChI=1S/C22H19F2N5O4/c1-12-15(3-4-16-17(12)11-32-21(16)31)18(30)9-26-7-13-2-5-19(27-8-13)29-10-14(6-25)20(28-29)33-22(23)24/h2-5,8,10,18,22,26,30H,7,9,11H2,1H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Solutions and reagents: Thallium flux assay was performed using FluxOR kit (F10017, Life Technologies). Loading buffer, assay buffer and stimulus buf...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456268 ((R)-1-(5-(((2-hydroxy-2- (4-methyl-1-oxo-1,3- dihy...) Show SMILES Cc1nn(cc1C#N)-c1ccc(CNC[C@H](O)c2ccc3C(=O)OCc3c2C)cn1 |r| Show InChI InChI=1S/C22H21N5O3/c1-13-17(4-5-18-19(13)12-30-22(18)29)20(28)10-24-8-15-3-6-21(25-9-15)27-11-16(7-23)14(2)26-27/h3-6,9,11,20,24,28H,8,10,12H2,1-2H3/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Solutions and reagents: Thallium flux assay was performed using FluxOR kit (F10017, Life Technologies). Loading buffer, assay buffer and stimulus buf...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					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))	BDBM194951 (US9206198, 5) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)OC3)C2=O)CC1 |r,t:23| Show InChI InChI=1S/C23H26N2O6/c1-14-16(2-3-17-18(14)13-31-21(17)28)19(26)11-24-7-4-23(5-8-24)6-9-25(22(23)29)15-10-20(27)30-12-15/h2-3,10,19,26H,4-9,11-13H2,1H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00406 BindingDB Entry DOI: 10.7270/Q24M98D5
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM194967 (US9206198, 22) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)C2=C(F)C(=O)OC2)CC1 |r,c:26| Show InChI InChI=1S/C23H25FN2O6/c1-13-14(2-3-15-16(13)11-31-20(15)28)18(27)10-25-7-4-23(5-8-25)6-9-26(22(23)30)17-12-32-21(29)19(17)24/h2-3,18,27H,4-12H2,1H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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 ...				US Patent US9206198 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86FH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM194951 (US9206198, 5) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C3=CC(=O)OC3)C2=O)CC1 |r,t:23| Show InChI InChI=1S/C23H26N2O6/c1-14-16(2-3-17-18(14)13-31-21(17)28)19(26)11-24-7-4-23(5-8-24)6-9-25(22(23)29)15-10-20(27)30-12-15/h2-3,10,19,26H,4-9,11-13H2,1H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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 ...				US Patent US9206198 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86FH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50249205 (CHEMBL4062753) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccns2)CC1 |r| Show InChI InChI=1S/C22H25N3O4S/c1-14-15(2-3-16-17(14)13-29-20(16)27)18(26)12-24-9-5-22(6-10-24)7-11-25(21(22)28)19-4-8-23-30-19/h2-4,8,18,26H,5-7,9-13H2,1H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method				Bioorg Med Chem Lett 27: 2559-2566 (2017) Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM194963 (US9206198, 18) Show SMILES CO[C@@H](CN1CC2CCC(C1)CC1(CCN(C3=CC(=O)OC3)C1=O)C2)c1ccc2C(=O)OCc2c1C |r,t:17,TLB:22:12:7.8:5.10.4,THB:3:4:7.8:11.24.12| Show InChI InChI=1S/C28H34N2O6/c1-17-21(5-6-22-23(17)16-36-26(22)32)24(34-2)14-29-12-18-3-4-19(13-29)11-28(10-18)7-8-30(27(28)33)20-9-25(31)35-15-20/h5-6,9,18-19,24H,3-4,7-8,10-16H2,1-2H3/t18?,19?,24-,28?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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 ...				US Patent US9206198 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86FH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456277 (6-(4-(((1-hydroxy-1-(4- methyl-1-oxo-1,3- dihydroi...) Show SMILES CC(NCc1cnn(c1)-c1cc(C)c(cn1)C#N)C(O)c1ccc2C(=O)OCc2c1C Show InChI InChI=1S/C23H23N5O3/c1-13-6-21(26-10-17(13)7-24)28-11-16(9-27-28)8-25-15(3)22(29)18-4-5-19-20(14(18)2)12-31-23(19)30/h4-6,9-11,15,22,25,29H,8,12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Solutions and reagents: Thallium flux assay was performed using FluxOR kit (F10017, Life Technologies). Loading buffer, assay buffer and stimulus buf...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM265547 (US9718808, 51) Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc-3c(CCc4nnnn-34)c2)C1=O |r,wU:10.35,wD:13.17,t:1,(7.21,2.52,;7.98,1.18,;7.5,-.28,;8.75,-1.19,;9.99,-.28,;9.52,1.18,;10.29,2.52,;6.17,-1.05,;5.69,-2.52,;4.15,-2.52,;3.68,-1.05,;2.59,-2.14,;1.1,-1.74,;.7,-.25,;1.79,.83,;3.28,.44,;-.79,.14,;-1.88,-.95,;-3.36,-.55,;-3.76,.94,;-5.25,1.34,;-6.34,.25,;-5.94,-1.24,;-7.03,-2.33,;-8.52,-1.93,;-8.91,-.44,;-10.29,.26,;-10.05,1.78,;-8.53,2.02,;-7.83,.65,;-4.45,-1.64,;4.92,-.15,;4.92,1.39,)| Show InChI InChI=1S/C24H28N6O3/c1-15-20(14-33-22(15)31)29-11-10-24(23(29)32)8-6-18(7-9-24)25-13-16-2-4-19-17(12-16)3-5-21-26-27-28-30(19)21/h2,4,12,18,25H,3,5-11,13-14H2,1H3/t18-,24-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...				US Patent US9718808 (2017) BindingDB Entry DOI: 10.7270/Q2DJ5HNG
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456141 (US10723723, Example 7-I | US10723723, Example 7-II) Show SMILES Cc1cc(ncc1C#N)-n1cc(CNCC(O)c2ccc3C(=O)OCc3c2C)cn1 Show InChI InChI=1S/C22H21N5O3/c1-13-5-21(25-9-16(13)6-23)27-11-15(8-26-27)7-24-10-20(28)17-3-4-18-19(14(17)2)12-30-22(18)29/h3-5,8-9,11,20,24,28H,7,10,12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2), 1 Mg...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM338554 (US9751881, Example 83) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cnc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C24H27N5O3/c1-16-18(2-3-19-20(16)14-32-23(19)31)21(30)13-28-7-4-24(5-8-28)6-9-29(15-24)22-12-26-17(10-25)11-27-22/h2-3,11-12,21,30H,4-9,13-15H2,1H3/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were ...				US Patent US9751881 (2017) BindingDB Entry DOI: 10.7270/Q26M38ZP
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM423209 ((R)-4-methyl-5-(4-((6- (4-methyl-1H-imidazol- 1-yl...) Show SMILES Cc1cn(cn1)-c1ccc(CN2CCN[C@@H](C2)c2ccc3C(=O)OCc3c2C)cn1 |r| Show InChI InChI=1S/C23H25N5O2/c1-15-10-28(14-26-15)22-6-3-17(9-25-22)11-27-8-7-24-21(12-27)18-4-5-19-20(16(18)2)13-30-23(19)29/h3-6,9-10,14,21,24H,7-8,11-13H2,1-2H3/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgC...				US Patent US10501449 (2019) BindingDB Entry DOI: 10.7270/Q2M32Z4C
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM423206 ((R)-4-methoxy-6-(4- ((3-(4-methyl-1-oxo-1,3- dihyd...) Show SMILES COc1cc(ncc1C#N)-n1cc(CN2CCN[C@@H](C2)c2ccc3C(=O)OCc3c2C)cn1 |r| Show InChI InChI=1S/C24H24N6O3/c1-15-18(3-4-19-20(15)14-33-24(19)31)21-13-29(6-5-26-21)11-16-9-28-30(12-16)23-7-22(32-2)17(8-25)10-27-23/h3-4,7,9-10,12,21,26H,5-6,11,13-14H2,1-2H3/t21-/m0/s1	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
Bristol-Myers Squibb Company US Patent					Assay Description The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgC...				US Patent US10501449 (2019) BindingDB Entry DOI: 10.7270/Q2M32Z4C
					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))	BDBM423204 (US10501449, Example 23-I | US10501449, Example 255...) Show SMILES Cc1cc(ncc1C#N)-n1cc(CN2CCN[C@@H](C2)c2ccc3C(=O)OCc3c2C)nn1 |r| Show InChI InChI=1S/C23H23N7O2/c1-14-7-22(26-9-16(14)8-24)30-11-17(27-28-30)10-29-6-5-25-21(12-29)18-3-4-19-20(15(18)2)13-32-23(19)31/h3-4,7,9,11,21,25H,5-6,10,12-13H2,1-2H3/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgC...				US Patent US10501449 (2019) BindingDB Entry DOI: 10.7270/Q2M32Z4C
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50249244 (CHEMBL4103004) Show SMILES COc1nccc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-21(17)30)19(29)13-27-10-6-24(7-11-27)8-12-28(22(24)31)20-5-9-25-23(26-20)32-2/h3-5,9,19,29H,6-8,10-14H2,1-2H3/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method				Bioorg Med Chem Lett 27: 2559-2566 (2017) Article DOI: 10.1016/j.bmcl.2017.03.086 BindingDB Entry DOI: 10.7270/Q2BV7K1G
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM194954 (US9206198, 7) Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1| Show InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)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	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00406 BindingDB Entry DOI: 10.7270/Q24M98D5
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM423199 (US10501449, Example 2-I) Show SMILES Cc1cc(ncc1C#N)-n1cc(CN2CCN[C@@H](C2)c2ccc3C(=O)OCc3c2C)cn1 |r| Show InChI InChI=1S/C24H24N6O2/c1-15-7-23(27-10-18(15)8-25)30-12-17(9-28-30)11-29-6-5-26-22(13-29)19-3-4-20-21(16(19)2)14-32-24(20)31/h3-4,7,9-10,12,22,26H,5-6,11,13-14H2,1-2H3/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgC...				US Patent US10501449 (2019) BindingDB Entry DOI: 10.7270/Q2M32Z4C
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM350315 (US10208064, Example 30) Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CCc3ccc-4c(Cn5nnnc-45)c3)CC2)C1=O |t:1| Show InChI InChI=1S/C23H26N6O3/c1-15-19(14-32-21(15)30)28-11-7-23(22(28)31)5-9-27(10-6-23)8-4-16-2-3-18-17(12-16)13-29-20(18)24-25-26-29/h2-3,12H,4-11,13-14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay				J Med Chem 62: 8682-8694 (2019) Article DOI: 10.1021/acs.jmedchem.8b01891 BindingDB Entry DOI: 10.7270/Q2GH9N7J
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM194970 (US9206198, 25) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)C2=C(Cl)C(=O)OC2)CC1 |r,c:26| Show InChI InChI=1S/C23H25ClN2O6/c1-13-14(2-3-15-16(13)11-31-20(15)28)18(27)10-25-7-4-23(5-8-25)6-9-26(22(23)30)17-12-32-21(29)19(17)24/h2-3,18,27H,4-12H2,1H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00406 BindingDB Entry DOI: 10.7270/Q24M98D5
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM155921 (US9018211, 2A) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 ROMK (unknown origin) after 30 mins by Tl+ influx assay				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122 BindingDB Entry DOI: 10.7270/Q25X2DF1
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM265571 (US9718808, 59) Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CC[C@@H](CC2)NCc2ccc-3c(Cn4nnnc-34)c2F)C1=O |r,wU:10.35,wD:13.17,t:1,(7.25,2.82,;8.02,1.49,;7.54,.02,;8.79,-.88,;10.03,.02,;9.56,1.49,;10.33,2.82,;6.21,-.75,;5.73,-2.21,;4.19,-2.21,;3.71,-.75,;2.63,-1.84,;1.14,-1.44,;.74,.05,;1.83,1.14,;3.32,.74,;-.75,.45,;-1.84,-.64,;-3.32,-.24,;-3.72,1.24,;-5.21,1.64,;-6.3,.55,;-5.9,-.93,;-7.19,-1.77,;-8.39,-.8,;-9.93,-.72,;-10.33,.76,;-9.03,1.6,;-7.84,.63,;-4.41,-1.33,;-4.01,-2.82,;4.96,.16,;5.36,1.64,)| Show InChI InChI=1S/C23H25FN6O3/c1-13-18(12-33-21(13)31)29-9-8-23(22(29)32)6-4-15(5-7-23)25-10-14-2-3-16-17(19(14)24)11-30-20(16)26-27-28-30/h2-3,15,25H,4-12H2,1H3/t15-,23-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...				US Patent US9718808 (2017) BindingDB Entry DOI: 10.7270/Q2DJ5HNG
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM350315 (US10208064, Example 30) Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CCc3ccc-4c(Cn5nnnc-45)c3)CC2)C1=O |t:1| Show InChI InChI=1S/C23H26N6O3/c1-15-19(14-32-21(15)30)28-11-7-23(22(28)31)5-9-27(10-6-23)8-4-16-2-3-18-17(12-16)13-29-20(18)24-25-26-29/h2-3,12H,4-11,13-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co Ltd US Patent					Assay Description A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...				US Patent US10208064 (2019) BindingDB Entry DOI: 10.7270/Q26T0PSB
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM155921 (US9018211, 2A) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 ROMK (unknown origin) after 30 mins by Tl+ influx assay				ACS Med Chem Lett 7: 697-701 (2016) Article DOI: 10.1021/acsmedchemlett.6b00122 BindingDB Entry DOI: 10.7270/Q25X2DF1
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456159 ((R)-6-(4-(((2-hydroxy-2- (4-methyl-1-oxo-1,3- dihy...) Show SMILES Cc1cc(nc(C)c1C#N)-n1cc(CNC[C@H](O)c2ccc3C(=O)OCc3c2C)nn1 |r| Show InChI InChI=1S/C22H22N6O3/c1-12-6-21(25-14(3)18(12)7-23)28-10-15(26-27-28)8-24-9-20(29)16-4-5-17-19(13(16)2)11-31-22(17)30/h4-6,10,20,24,29H,8-9,11H2,1-3H3/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2), 1 Mg...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM456278 ((R)-4-ethoxy-6-(4-(((2- hydroxy-2-(4-methyl-1- oxo...) Show SMILES CCOc1cc(ncc1C#N)-n1cc(CNC[C@H](O)c2ccc3C(=O)OCc3c2C)cn1 |r| Show InChI InChI=1S/C23H23N5O4/c1-3-31-21-6-22(26-10-16(21)7-24)28-12-15(9-27-28)8-25-11-20(29)17-4-5-18-19(14(17)2)13-32-23(18)30/h4-6,9-10,12,20,25,29H,3,8,11,13H2,1-2H3/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Solutions and reagents: Thallium flux assay was performed using FluxOR kit (F10017, Life Technologies). Loading buffer, assay buffer and stimulus buf...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50505266 (CHEMBL4548110) Show SMILES CCOc1cc(ccc1C#N)-n1cc(CNC[C@H](O)c2ccc3C(=O)OCc3c2C)cn1 |r| Show InChI InChI=1S/C24H24N4O4/c1-3-31-23-8-18(5-4-17(23)9-25)28-13-16(11-27-28)10-26-12-22(29)19-6-7-20-21(15(19)2)14-32-24(20)30/h4-8,11,13,22,26,29H,3,10,12,14H2,1-2H3/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human ROMK1 expressed in CHO cells by Tl+ flux assay				J Med Chem 62: 8682-8694 (2019) Article DOI: 10.1021/acs.jmedchem.8b01891 BindingDB Entry DOI: 10.7270/Q2GH9N7J
					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))	BDBM456205 ((R)-1-(5-(((2-hydroxy-2- (4-methyl-1-oxo-1,3- dihy...) Show SMILES Cc1cn(nc1C#N)-c1ccc(CNC[C@H](O)c2ccc3C(=O)OCc3c2C)cn1 |r| Show InChI InChI=1S/C22H21N5O3/c1-13-11-27(26-19(13)7-23)21-6-3-15(9-25-21)8-24-10-20(28)16-4-5-17-18(14(16)2)12-30-22(17)29/h3-6,9,11,20,24,28H,8,10,12H2,1-2H3/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
Bristol-Myers Squibb Company US Patent					Assay Description Solutions and reagents: Thallium flux assay was performed using FluxOR kit (F10017, Life Technologies). Loading buffer, assay buffer and stimulus buf...				US Patent US10723723 (2020) BindingDB Entry DOI: 10.7270/Q22Z18K6
					More data for this Ligand-Target Pair

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