Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50048048   

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
G protein-activated inward rectifier potassium channel 4 (Homo sapiens (Human))	BDBM50202477 (CHEMBL3955249) Show SMILES [H][C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@@]3([C@@H]2OC(C)=O)C(=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O |r,c:40| Show InChI InChI=1S/C35H42O12/c1-18-16-35(47-22(5)39)26(27(18)45-30(41)23-12-10-9-11-13-23)29(43-19(2)36)34-17-42-33(8,31(35)44-20(3)37)28(34)24(14-15-25(34)40)32(6,7)46-21(4)38/h9-15,18,24,26-29,31H,16-17H2,1-8H3/t18-,24-,26+,27-,28-,29+,31-,33+,34+,35+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rytmion Ltd. Curated by ChEMBL					Assay Description Inhibition of GTPgammaS-induced activation of GIRK1/4 (unknown origin) expressed in HEK293 cells assessed as decrease in channel current after 2 mins...				J Nat Prod 79: 1990-2004 (2016) Article DOI: 10.1021/acs.jnatprod.6b00260 BindingDB Entry DOI: 10.7270/Q2CC12NJ
					More data for this Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4 (Homo sapiens (Human))	BDBM50202479 (CHEBI:69714 | Euphorbiaproliferin C) Show SMILES [H][C@]12[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@@]3([C@@H]2OC(C)=O)C(=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O |r,c:36| Show InChI InChI=1S/C32H44O12/c1-15(2)27(38)42-24-16(3)13-32(44-20(7)36)23(24)26(40-17(4)33)31-14-39-30(10,28(32)41-18(5)34)25(31)21(11-12-22(31)37)29(8,9)43-19(6)35/h11-12,15-16,21,23-26,28H,13-14H2,1-10H3/t16-,21-,23+,24-,25-,26+,28-,30+,31+,32+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rytmion Ltd. Curated by ChEMBL					Assay Description Inhibition of GTPgammaS-induced activation of GIRK1/4 (unknown origin) expressed in HEK293 cells assessed as decrease in channel current after 2 mins...				J Nat Prod 79: 1990-2004 (2016) Article DOI: 10.1021/acs.jnatprod.6b00260 BindingDB Entry DOI: 10.7270/Q2CC12NJ
					More data for this Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4 (Homo sapiens (Human))	BDBM50202481 (CHEMBL3901192) Show SMILES [H][C@@]12C[C@](C)(OC(C)=O)[C@]1([H])[C@@]1([H])[C@@]3(C)OC[C@@]1([C@H](OC(C)=O)[C@@]1([H])[C@@H](OC(=O)c4cccnc4)[C@@H](C)C[C@]1(OC(C)=O)[C@H]3OC(C)=O)C(=O)[C@@H]2OC(=O)C(C)CC |r| Show InChI InChI=1S/C39H49NO14/c1-10-18(2)33(46)52-29-25-15-36(8,53-22(6)43)26(25)30-37(9)35(50-21(5)42)39(54-23(7)44)14-19(3)28(51-34(47)24-12-11-13-40-16-24)27(39)32(49-20(4)41)38(30,17-48-37)31(29)45/h11-13,16,18-19,25-30,32,35H,10,14-15,17H2,1-9H3/t18?,19-,25+,26-,27+,28-,29+,30-,32+,35-,36-,37+,38-,39+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rytmion Ltd. Curated by ChEMBL					Assay Description Inhibition of GTPgammaS-induced activation of GIRK1/4 (unknown origin) expressed in HEK293 cells assessed as decrease in channel current after 2 mins...				J Nat Prod 79: 1990-2004 (2016) Article DOI: 10.1021/acs.jnatprod.6b00260 BindingDB Entry DOI: 10.7270/Q2CC12NJ
					More data for this Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4 (Homo sapiens (Human))	BDBM50202478 (CHEMBL3899370) Show SMILES [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@@]3([C@@H]2OC(C)=O)C(=O)C=C[C@@H]([C@@]13[H])C(C)(C)OC(C)=O |r,c:35| Show InChI InChI=1S/C31H42O12/c1-10-22(37)41-24-15(2)13-31(43-19(6)35)23(24)26(39-16(3)32)30-14-38-29(9,27(31)40-17(4)33)25(30)20(11-12-21(30)36)28(7,8)42-18(5)34/h11-12,15,20,23-27H,10,13-14H2,1-9H3/t15-,20-,23+,24-,25-,26+,27-,29+,30+,31+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rytmion Ltd. Curated by ChEMBL					Assay Description Inhibition of GTPgammaS-induced activation of GIRK1/4 (unknown origin) expressed in HEK293 cells assessed as decrease in channel current after 2 mins...				J Nat Prod 79: 1990-2004 (2016) Article DOI: 10.1021/acs.jnatprod.6b00260 BindingDB Entry DOI: 10.7270/Q2CC12NJ
					More data for this Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4 (Homo sapiens (Human))	BDBM50202480 (CHEMBL3961215) Show SMILES [H][C@@]12C[C@](C)(OC(C)=O)[C@]1([H])[C@@]1([H])[C@@]3(C)OC[C@@]1([C@H](OC(C)=O)[C@@]1([H])[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]1(OC(C)=O)[C@H]3OC(C)=O)C(=O)[C@@H]2OC(C)=O |r| Show InChI InChI=1S/C34H46O14/c1-14(2)29(41)46-24-15(3)11-34(48-20(8)39)23(24)28(44-17(5)36)33-13-42-32(10,30(34)45-18(6)37)26(33)22-21(12-31(22,9)47-19(7)38)25(27(33)40)43-16(4)35/h14-15,21-26,28,30H,11-13H2,1-10H3/t15-,21+,22-,23+,24-,25+,26-,28+,30-,31-,32+,33-,34+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rytmion Ltd. Curated by ChEMBL					Assay Description Inhibition of GTPgammaS-induced activation of GIRK1/4 (unknown origin) expressed in HEK293 cells assessed as decrease in channel current after 2 mins...				J Nat Prod 79: 1990-2004 (2016) Article DOI: 10.1021/acs.jnatprod.6b00260 BindingDB Entry DOI: 10.7270/Q2CC12NJ
					More data for this Ligand-Target Pair