Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with Target = 'Inward rectifier potassium channel 2'   

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
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65870 ((4-Methoxy-benzyl)-naphthalen-1-ylmethyl-amine | 1...) Show SMILES COc1ccc(CNCc2cccc3ccccc23)cc1 Show InChI InChI=1S/C19H19NO/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,20H,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse Kir2.1 expressed in HEK293 cells by patch clamp technique				J Med Chem 56: 593-624 (2013) Article DOI: 10.1021/jm3011433 BindingDB Entry DOI: 10.7270/Q23B61GZ
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM328993 (5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(triflu...) Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Kir2.1				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM600745 (US11632953, Compound 1 | US11632953, Compound VU04...) Show SMILES FC(F)(F)c1nn(CC(=O)N2CCCc3ccccc23)c2CCCCc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GT5S4F
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM600745 (US11632953, Compound 1 | US11632953, Compound VU04...) Show SMILES FC(F)(F)c1nn(CC(=O)N2CCCc3ccccc23)c2CCCCc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GT5S4F
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65858 (MLS000557943 | N-[2-[5-[(4-chlorobenzyl)thio]-1,3,...) Show SMILES CC(C)(C)OC(=O)NCCc1nnc(SCc2ccc(Cl)cc2)o1 Show InChI InChI=1S/C16H20ClN3O3S/c1-16(2,3)23-14(21)18-9-8-13-19-20-15(22-13)24-10-11-4-6-12(17)7-5-11/h4-7H,8-10H2,1-3H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65871 (5-bromanyl-N-(1-phenylethyl)thiophene-2-sulfonamid...) Show SMILES CC(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 Show InChI InChI=1S/C12H12BrNO2S2/c1-9(10-5-3-2-4-6-10)14-18(15,16)12-8-7-11(13)17-12/h2-9,14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65874 (2-[[2-[(2-hydroxy-5-methyl-benzyl)amino]ethylamino...) Show SMILES Cc1ccc(O)c(CNCCNCc2cc(C)ccc2O)c1 Show InChI InChI=1S/C18H24N2O2/c1-13-3-5-17(21)15(9-13)11-19-7-8-20-12-16-10-14(2)4-6-18(16)22/h3-6,9-10,19-22H,7-8,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65865 ((E)-N-[(4-methoxyphenyl)methyl]-3-phenyl-2-propen-...) Show SMILES COc1ccc(CNC\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C17H19NO/c1-19-17-11-9-16(10-12-17)14-18-13-5-8-15-6-3-2-4-7-15/h2-12,18H,13-14H2,1H3/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65861 (1-{[3-(3-phenoxyphenoxy)propyl]amino}-2-propanol e...) Show SMILES CC(O)CNCCCOc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H23NO3/c1-15(20)14-19-11-6-12-21-17-9-5-10-18(13-17)22-16-7-3-2-4-8-16/h2-5,7-10,13,15,19-20H,6,11-12,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65872 (1-[(4-fluorobenzyl)amino]-3-(4-methylphenoxy)propa...) Show SMILES Cc1ccc(OCC(O)CNCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H20FNO2/c1-13-2-8-17(9-3-13)21-12-16(20)11-19-10-14-4-6-15(18)7-5-14/h2-9,16,19-20H,10-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65868 (4-Bromo-N-(1-phenyl-ethyl)-benzenesulfonamide | 4-...) Show SMILES CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 Show InChI InChI=1S/C14H14BrNO2S/c1-11(12-5-3-2-4-6-12)16-19(17,18)14-9-7-13(15)8-10-14/h2-11,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65859 (2-Cyclopropyl-1-phenethyl-1H-benzoimidazole | 2-cy...) Show SMILES C(Cn1c(nc2ccccc12)C1CC1)c1ccccc1 Show InChI InChI=1S/C18H18N2/c1-2-6-14(7-3-1)12-13-20-17-9-5-4-8-16(17)19-18(20)15-10-11-15/h1-9,15H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65870 ((4-Methoxy-benzyl)-naphthalen-1-ylmethyl-amine | 1...) Show SMILES COc1ccc(CNCc2cccc3ccccc23)cc1 Show InChI InChI=1S/C19H19NO/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,20H,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50312125 (3-chloro-N-(3-(3-methylbenzamido)phenyl)benzamide ...) Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H17ClN2O2/c1-14-5-2-6-15(11-14)20(25)23-18-9-4-10-19(13-18)24-21(26)16-7-3-8-17(22)12-16/h2-13H,1H3,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of Kir2.1 (unknown origin)				Bioorg Med Chem Lett 24: 3968-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.032 BindingDB Entry DOI: 10.7270/Q2805487
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM600754 (US11632953, Compound 12 | VU0652942) Show SMILES FC(F)(F)c1nn(CC(=O)N2CCCC(C2)c2ccccc2)c2CCCCc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GT5S4F
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM600751 (US11632953, Compound 9 | VU0652954) Show SMILES FC(F)(F)c1nn(CC(=O)N2CCCC3CCCCC23)c2CCCCc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GT5S4F
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM600748 (US11632953, Compound 5 | VU0650730) Show SMILES O=C(Cn1ncc2COCCc12)N1CCCc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GT5S4F
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM600747 (US11632953, Compound 4 | VU0650729) Show SMILES O=C(Cn1ccc2c1CCCC2=O)N1CCCc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GT5S4F
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50258216 (CHEMBL4105630) Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States. Curated by ChEMBL					Assay Description Inhibition of Kir2.1 (unknown origin) by patch clamp assay				J Med Chem 60: 7810-7819 (2017) Article DOI: 10.1021/acs.jmedchem.7b00846 BindingDB Entry DOI: 10.7270/Q2ZK5K4W
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50050539 (CHEMBL3187891) Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 Show InChI InChI=1S/C20H17N3O2/c1-14-4-2-5-16(12-14)20(25)23-18-7-3-6-17(13-18)22-19(24)15-8-10-21-11-9-15/h2-13H,1H3,(H,22,24)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of Kir2.1 (unknown origin)				Bioorg Med Chem Lett 24: 3968-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.032 BindingDB Entry DOI: 10.7270/Q2805487
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50050534 (CHEMBL3183773) Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H17F3N2O2/c1-14-5-2-6-15(11-14)20(28)26-18-9-4-10-19(13-18)27-21(29)16-7-3-8-17(12-16)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of Kir2.1 (unknown origin)				Bioorg Med Chem Lett 24: 3968-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.032 BindingDB Entry DOI: 10.7270/Q2805487
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50050530 (CHEMBL3188857) Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C22H17F3N2O2/c1-14-6-4-7-15(12-14)20(28)26-16-8-5-9-17(13-16)27-21(29)18-10-2-3-11-19(18)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of Kir2.1 (unknown origin)				Bioorg Med Chem Lett 24: 3968-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.032 BindingDB Entry DOI: 10.7270/Q2805487
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM600755 (US11632953, Compound 13 | VU0652943) Show SMILES CC1CC(C)CN(C1)C(=O)Cn1nc(c2CCCCc12)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GT5S4F
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50312105 (2-methoxy-N-(3-(3-methylbenzamido)phenyl)benzamide...) Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 Show InChI InChI=1S/C22H20N2O3/c1-15-7-5-8-16(13-15)21(25)23-17-9-6-10-18(14-17)24-22(26)19-11-3-4-12-20(19)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of Kir2.1 (unknown origin)				Bioorg Med Chem Lett 24: 3968-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.032 BindingDB Entry DOI: 10.7270/Q2805487
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65863 (3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1H-in...) Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C19H20FN3/c20-16-5-7-17(8-6-16)23-11-9-22(10-12-23)14-15-13-21-19-4-2-1-3-18(15)19/h1-8,13,21H,9-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM43753 (6-methyl-N-(phenylmethyl)-1H-benzimidazol-2-amine ...) Show SMILES Cc1ccc2nc(NCc3ccccc3)[nH]c2c1 Show InChI InChI=1S/C15H15N3/c1-11-7-8-13-14(9-11)18-15(17-13)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65857 (3-(4-benzoxyphenoxy)propyl-cyclopentyl-amine;oxali...) Show SMILES C(CNC1CCCC1)COc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H27NO2/c1-2-7-18(8-3-1)17-24-21-13-11-20(12-14-21)23-16-6-15-22-19-9-4-5-10-19/h1-3,7-8,11-14,19,22H,4-6,9-10,15-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65855 ((4-methoxyphenyl)-(4-quinolyl)amine;hydrochloride ...) Show SMILES COc1ccc(Nc2ccnc3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65873 ((3-bromo-4-methoxy-benzyl)-homopiperonyl-amine;oxa...) Show SMILES COc1ccc(CNCCc2ccc3OCOc3c2)cc1Br Show InChI InChI=1S/C17H18BrNO3/c1-20-15-4-3-13(8-14(15)18)10-19-7-6-12-2-5-16-17(9-12)22-11-21-16/h2-5,8-9,19H,6-7,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65856 (3-chloranyl-4-(1-ethylbenzimidazol-2-yl)sulfanyl-a...) Show SMILES CCn1c(Sc2ccc(N)cc2Cl)nc2ccccc12 Show InChI InChI=1S/C15H14ClN3S/c1-2-19-13-6-4-3-5-12(13)18-15(19)20-14-8-7-10(17)9-11(14)16/h3-9H,2,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65862 (2-[(2,4-dichlorobenzylidene)amino]guanidine | 2-[(...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)cc1Cl |w:4.3| Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65867 ((1-benzyl-4-piperidyl)-(4-chlorobenzyl)amine | 1-b...) Show SMILES Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C19H23ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65860 (4-(methylthio)-N-(1-phenylethyl)benzenesulfonamide...) Show SMILES CSc1ccc(cc1)S(=O)(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C15H17NO2S2/c1-12(13-6-4-3-5-7-13)16-20(17,18)15-10-8-14(19-2)9-11-15/h3-12,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65869 ((2,8-Dimethyl-quinolin-4-yl)-p-tolyl-amine | (2,8-...) Show SMILES Cc1ccc(Nc2cc(C)nc3c(C)cccc23)cc1 Show InChI InChI=1S/C18H18N2/c1-12-7-9-15(10-8-12)20-17-11-14(3)19-18-13(2)5-4-6-16(17)18/h4-11H,1-3H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65854 (4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]s...) Show SMILES CCn1c(COc2ccccc2)nnc1SCc1ccc(cc1)C#N Show InChI InChI=1S/C19H18N4OS/c1-2-23-18(13-24-17-6-4-3-5-7-17)21-22-19(23)25-14-16-10-8-15(12-20)9-11-16/h3-11H,2,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50442600 (CHEMBL2441437 | US9056859, 1) Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1 Show InChI InChI=1S/C23H24N6O3/c30-22(14-17-1-4-20(5-2-17)29-16-24-25-26-29)28-11-9-27(10-12-28)8-7-18-3-6-21-19(13-18)15-32-23(21)31/h1-6,13,16H,7-12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Kir2.1 channel (unknown origin)				Bioorg Med Chem Lett 23: 5829-32 (2013) Article DOI: 10.1016/j.bmcl.2013.08.104 BindingDB Entry DOI: 10.7270/Q28K7BHG
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM155928 (US9018211, 52) Show SMILES COc1cc(ncc1C#N)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-17(3-4-18-19(15)14-33-24(18)31)21(29)12-27-5-7-28(8-6-27)13-22(30)20-9-23(32-2)16(10-25)11-26-20/h3-4,9,11,21-22,29-30H,5-8,12-14H2,1-2H3/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Kir2.1 potassium channel (unknown origin)				ACS Med Chem Lett 6: 747-52 (2015) Article DOI: 10.1021/ml500440u BindingDB Entry DOI: 10.7270/Q27H1MCQ
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Kir2.1 (unknown origin)				Bioorg Med Chem Lett 26: 2339-43 (2016) Article DOI: 10.1016/j.bmcl.2016.03.035 BindingDB Entry DOI: 10.7270/Q2668G3Q
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65864 (1-adamantyl-(1-propyl-4-piperidyl)amine | MLS00097...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC1CCN(CCC)CC1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5| Show InChI InChI=1S/C18H32N2/c1-2-5-20-6-3-17(4-7-20)19-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-17,19H,2-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Mus musculus)	BDBM65866 (1-(4-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-qu...) Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12 Show InChI InChI=1S/C15H14FNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay					Assay Description Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R98
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50249183 (CHEMBL4069245) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r| Show InChI InChI=1S/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of Kir2.1 (unknown origin)				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
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50257064 (CHEMBL2386850) Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1 Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Inhibition of human Kir2.1 expressed in CHO cells by automated patch clamp assay				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50204281 (CHEMBL3933749) Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Kir2.1 (unknown origin)				Bioorg Med Chem Lett 26: 5695-5702 (2016) Article DOI: 10.1016/j.bmcl.2016.10.064 BindingDB Entry DOI: 10.7270/Q2F191PS
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50391771 (CHEMBL2146754) Show SMILES [O-][N+](=O)c1ccc(CCN2CCNCC2)cc1 Show InChI InChI=1S/C12H17N3O2/c16-15(17)12-3-1-11(2-4-12)5-8-14-9-6-13-7-10-14/h1-4,13H,5-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Kir2.1 expressed in HEK293 cells assessed as inhibition of thallium efflux by fluorescence assay				ACS Med Chem Lett 3: 367-372 (2012) Article DOI: 10.1021/ml3000066 BindingDB Entry DOI: 10.7270/Q2MK6DZV
					More data for this Ligand-Target Pair
Inward rectifier potassium channel 2 (Homo sapiens (Human))	BDBM50391770 (CHEMBL2146755 | US9073882, 1) Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1 Show InChI InChI=1S/C20H24N4O4/c25-23(26)19-5-1-17(2-6-19)9-11-21-13-15-22(16-14-21)12-10-18-3-7-20(8-4-18)24(27)28/h1-8H,9-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Kir2.1 expressed in HEK293 cells assessed as inhibition of thallium efflux by fluorescence assay				ACS Med Chem Lett 3: 367-372 (2012) Article DOI: 10.1021/ml3000066 BindingDB Entry DOI: 10.7270/Q2MK6DZV
					More data for this Ligand-Target Pair