Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 6883   

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 (Rattus norvegicus (Rat))	BDBM155924 (US9018211, 5) Show SMILES OC(CN1CCN(CC(O)c2ccc3C(=O)OCc3c2Cl)CC1)c1ccc2C(=O)OCc2c1Cl Show InChI InChI=1S/C24H24Cl2N2O6/c25-21-15(3-1-13-17(21)11-33-23(13)31)19(29)9-27-5-7-28(8-6-27)10-20(30)16-4-2-14-18(22(16)26)12-34-24(14)32/h1-4,19-20,29-30H,5-12H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...				US Patent US9018211 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZDS
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...				US Patent US9018211 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZDS
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM155923 (US9018211, 2C) 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+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...				US Patent US9018211 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZDS
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM155922 (US9018211, 2B) 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-/m1/s1	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 Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...				US Patent US9018211 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZDS
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM155925 (US9018211, 12) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC(O)c2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C26H30N2O5/c1-16-18(3-4-20-22(16)14-32-25(20)30)7-8-27-9-11-28(12-10-27)13-24(29)19-5-6-21-23(17(19)2)15-33-26(21)31/h3-6,24,29H,7-15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...				US Patent US9018211 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZDS
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM155926 (US9018211, 20) Show SMILES COc1cc(ccc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2)CC1 Show InChI InChI=1S/C24H27N3O4/c1-30-23-13-18(3-4-19(23)14-25)22(28)15-27-10-8-26(9-11-27)7-6-17-2-5-21-20(12-17)16-31-24(21)29/h2-5,12-13,22,28H,6-11,15-16H2,1H3	UniProtKB/SwissProt 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	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...				US Patent US9018211 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZDS
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM155927 (US9018211, 22 (isomer 2)) Show SMILES COc1cc(C(O)CN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)c(F)cc1C#N Show InChI InChI=1S/C24H26FN3O4/c1-31-23-12-20(21(25)11-17(23)13-26)22(29)14-28-8-6-27(7-9-28)5-4-16-2-3-19-18(10-16)15-32-24(19)30/h2-3,10-12,22,29H,4-9,14-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...				US Patent US9018211 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZDS
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	BDBM155929 (US9018211, 55) Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC2CCc3c2ccc(F)c3[N+]#[C-])CC1 Show InChI InChI=1S/C26H28FN3O3/c1-16-18(5-6-21-22(16)15-33-26(21)32)24(31)14-30-11-9-29(10-12-30)13-17-3-4-20-19(17)7-8-23(27)25(20)28-2/h5-8,17,24,31H,3-4,9-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...				US Patent US9018211 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZDS
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Rattus norvegicus (Rat))	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWork...				US Patent US9018211 (2015) BindingDB Entry DOI: 10.7270/Q2CC0ZDS
					More data for this Ligand-Target Pair