Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 8976   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM307520 ((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C24H37N5O4/c1-5-7-19(10-11-30)27-23-20(16(3)26-24(25)28-23)13-18-9-8-17(12-21(18)33-4)14-29(6-2)15-22(31)32/h8-9,12,19,30H,5-7,10-11,13-15H2,1-4H3,(H,31,32)(H3,25,26,27,28)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Cell CultureThe hERG-expressing Chinese hamster ovary K1 (CHO) cells described by (Persson, Carlsson, Duker, & Jacobson, 2005) were grown to semi-con...				US Patent US10562861 (2020) BindingDB Entry DOI: 10.7270/Q22F7QTT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM307525 ((S)-3-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CCC(O)=O)CC(F)F)cc1OC |r| Show InChI InChI=1S/C25H37F2N5O4/c1-4-5-19(9-11-33)30-24-20(16(2)29-25(28)31-24)13-18-7-6-17(12-21(18)36-3)14-32(15-22(26)27)10-8-23(34)35/h6-7,12,19,22,33H,4-5,8-11,13-15H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Cell CultureThe hERG-expressing Chinese hamster ovary K1 (CHO) cells described by (Persson, Carlsson, Duker, & Jacobson, 2005) were grown to semi-con...				US Patent US10562861 (2020) BindingDB Entry DOI: 10.7270/Q22F7QTT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM307524 ((S)-3-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC)CCC(O)=O)cc1OC |r| Show InChI InChI=1S/C25H39N5O4/c1-5-7-20(11-13-31)28-24-21(17(3)27-25(26)29-24)15-19-9-8-18(14-22(19)34-4)16-30(6-2)12-10-23(32)33/h8-9,14,20,31H,5-7,10-13,15-16H2,1-4H3,(H,32,33)(H3,26,27,28,29)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Cell CultureThe hERG-expressing Chinese hamster ovary K1 (CHO) cells described by (Persson, Carlsson, Duker, & Jacobson, 2005) were grown to semi-con...				US Patent US10562861 (2020) BindingDB Entry DOI: 10.7270/Q22F7QTT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM307522 ((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Cell CultureThe hERG-expressing Chinese hamster ovary K1 (CHO) cells described by (Persson, Carlsson, Duker, & Jacobson, 2005) were grown to semi-con...				US Patent US10562861 (2020) BindingDB Entry DOI: 10.7270/Q22F7QTT
					More data for this Ligand-Target Pair