Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 7026   

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))	BDBM167407 (US9073882, 94) Show SMILES CC(CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)c1ccc2C(=O)OCc2c1C Show InChI InChI=1S/C27H32N2O4/c1-17(21-6-7-23-25(19(21)3)16-33-27(23)31)14-29-12-10-28(11-13-29)9-8-20-4-5-22-24(18(20)2)15-32-26(22)30/h4-7,17H,8-16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	4
Merck Sharp & Dohme Corp. US Patent					Assay Description FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...				US Patent US9073882 (2015) BindingDB Entry DOI: 10.7270/Q21C1VMH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM167405 (US9073882, 86) Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CCc2ccc(C#N)c(F)c2Cl)CC1 Show InChI InChI=1S/C24H25ClFN3O2/c1-16-17(4-5-20-21(16)15-31-24(20)30)6-8-28-10-12-29(13-11-28)9-7-18-2-3-19(14-27)23(26)22(18)25/h2-5H,6-13,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	4
Merck Sharp & Dohme Corp. US Patent					Assay Description FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...				US Patent US9073882 (2015) BindingDB Entry DOI: 10.7270/Q21C1VMH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM167406 (US9073882, 89) Show SMILES COc1cc(F)c(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)cc1C#N Show InChI InChI=1S/C24H26FN3O3/c1-30-23-14-22(25)18(13-19(23)15-26)5-7-28-10-8-27(9-11-28)6-4-17-2-3-21-20(12-17)16-31-24(21)29/h2-3,12-14H,4-11,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	4
Merck Sharp & Dohme Corp. US Patent					Assay Description FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...				US Patent US9073882 (2015) BindingDB Entry DOI: 10.7270/Q21C1VMH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	4
Merck Sharp & Dohme Corp. US Patent					Assay Description FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...				US Patent US9073882 (2015) BindingDB Entry DOI: 10.7270/Q21C1VMH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50391778 (CHEMBL2146879 | US9073882, 64) Show SMILES O=C1OCc2cc(CCN3CCN(CCc4ccc(C#N)c(OC5CC5)c4)CC3)ccc12 Show InChI InChI=1S/C26H29N3O3/c27-17-21-3-1-20(16-25(21)32-23-4-5-23)8-10-29-13-11-28(12-14-29)9-7-19-2-6-24-22(15-19)18-31-26(24)30/h1-3,6,15-16,23H,4-5,7-14,18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	4
Merck Sharp & Dohme Corp. US Patent					Assay Description FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...				US Patent US9073882 (2015) BindingDB Entry DOI: 10.7270/Q21C1VMH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50391781 (CHEMBL2146873 | US9073882, 38) Show SMILES Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C23H24FN3O2/c24-22-14-18(1-3-19(22)15-25)6-8-27-11-9-26(10-12-27)7-5-17-2-4-21-20(13-17)16-29-23(21)28/h1-4,13-14H,5-12,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	4
Merck Sharp & Dohme Corp. US Patent					Assay Description FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...				US Patent US9073882 (2015) BindingDB Entry DOI: 10.7270/Q21C1VMH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM167404 (US9073882, 58) Show SMILES C[C@H]1Cc2cc(CCN3CCN(CCc4ccc5C(=O)O[C@@H](C)Cc5c4)CC3)ccc2C(=O)O1 |r| Show InChI InChI=1S/C28H34N2O4/c1-19-15-23-17-21(3-5-25(23)27(31)33-19)7-9-29-11-13-30(14-12-29)10-8-22-4-6-26-24(18-22)16-20(2)34-28(26)32/h3-6,17-20H,7-16H2,1-2H3/t19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	4
Merck Sharp & Dohme Corp. US Patent					Assay Description FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...				US Patent US9073882 (2015) BindingDB Entry DOI: 10.7270/Q21C1VMH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50391768 (CHEMBL2146871 | US9073882, 95) Show SMILES O=C1OCc2cc(CCN3CCN(CCc4ccc(cc4)C#N)CC3)ccc12 Show InChI InChI=1S/C23H25N3O2/c24-16-20-3-1-18(2-4-20)7-9-25-11-13-26(14-12-25)10-8-19-5-6-22-21(15-19)17-28-23(22)27/h1-6,15H,7-14,17H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	4
Merck Sharp & Dohme Corp. US Patent					Assay Description FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...				US Patent US9073882 (2015) BindingDB Entry DOI: 10.7270/Q21C1VMH
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50391780 (CHEMBL2146881 | US9073882, 62) Show SMILES CNc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C24H28N4O2/c1-26-23-15-19(2-4-20(23)16-25)7-9-28-12-10-27(11-13-28)8-6-18-3-5-22-21(14-18)17-30-24(22)29/h2-5,14-15,26H,6-13,17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	4
Merck Sharp & Dohme Corp. US Patent					Assay Description FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...				US Patent US9073882 (2015) BindingDB Entry DOI: 10.7270/Q21C1VMH
					More data for this Ligand-Target Pair