Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'castro navas' and Initial = 'ff'   

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
Choline kinase alpha (Homo sapiens (Human))	BDBM50556491 (CHEMBL4784458) Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccc(cc3)-c3ccccc3)c2c1)N1CCCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CKalpha1 assessed as reduction in 14C incorporation from [methyl-14C]choline to phosphatidylcholine using [methyl-14C]choline as ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556492 (CHEMBL4747352) Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(cc2)-c2ccccc2)c2cc(Cl)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CKalpha1 assessed as reduction in 14C incorporation from [methyl-14C]choline to phosphatidylcholine using [methyl-14C]choline as ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20177 ((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...) Show SMILES [H][C@@](O)(CCC(C)C)[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:19| Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.71E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257931 (CHEMBL4073435) Show SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC(=O)[C@H](C)C(C)C |r,t:6,8| Show InChI InChI=1S/C28H44O2/c1-17(2)19(4)26(30)15-18(3)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7-8,17-19,21,23-25,29H,9-16H2,1-6H3/t18-,19-,21+,23-,24+,25+,27+,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.58E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257932 (CHEMBL4085972) Show SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@@H](O)[C@H](C)C(C)C |r,t:6,8| Show InChI InChI=1S/C28H46O2/c1-17(2)19(4)26(30)15-18(3)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7-8,17-19,21,23-26,29-30H,9-16H2,1-6H3/t18-,19-,21+,23-,24+,25+,26-,27+,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257933 (CHEMBL4086897) Show SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)C[C@H](C)C(C)C |r,t:6,8| Show InChI InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7-8,17-19,21,23-26,29-30H,9-16H2,1-6H3/t18-,19-,21-,23+,24-,25-,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.61E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257934 (CHEMBL4104778) Show SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](O)[C@H](C)C(C)C |r,t:6,8| Show InChI InChI=1S/C28H46O2/c1-17(2)19(4)26(30)15-18(3)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7-8,17-19,21,23-26,29-30H,9-16H2,1-6H3/t18-,19-,21+,23-,24+,25+,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.07E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257935 (CHEMBL4067156) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@@H](O)[C@@H](CC)C(C)C |r,t:9| Show InChI InChI=1S/C29H50O2/c1-7-22(18(2)3)27(31)16-19(4)24-10-11-25-23-9-8-20-17-21(30)12-14-28(20,5)26(23)13-15-29(24,25)6/h8,18-19,21-27,30-31H,7,9-17H2,1-6H3/t19-,21+,22+,23+,24-,25+,26+,27-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257936 (CHEMBL4059545) Show SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C(=O)C[C@H](C)C(C)C |r,t:6,8| Show InChI InChI=1S/C28H44O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7-8,17-19,21,23-25,29H,9-16H2,1-6H3/t18-,19-,21-,23+,24-,25-,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.51E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20177 ((1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6...) Show SMILES [H][C@@](O)(CCC(C)C)[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:19| Show InChI InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.75E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50257930 (CHEMBL4061349) Show SMILES [H][C@]1(O[C@@]1([H])[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](CC)C(C)C |r,t:17| Show InChI InChI=1S/C29H48O2/c1-7-21(17(2)3)27-26(31-27)18(4)23-10-11-24-22-9-8-19-16-20(30)12-14-28(19,5)25(22)13-15-29(23,24)6/h8,17-18,20-27,30H,7,9-16H2,1-6H3/t18-,20-,21-,22-,23+,24-,25-,26-,27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50257929 (CHEMBL4097209) Show SMILES [H][C@@]1(O[C@]1([H])[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C(C)C |r,t:14,16| Show InChI InChI=1S/C28H44O2/c1-16(2)17(3)25-26(30-25)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h7-8,16-18,20,22-26,29H,9-15H2,1-6H3/t17-,18+,20+,22-,23+,24+,25-,26-,27+,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50257928 (CHEMBL4070016) Show SMILES [H][C@]1(O[C@@]1([H])[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C(C)C |r,t:14,16| Show InChI InChI=1S/C28H44O2/c1-16(2)17(3)25-26(30-25)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h7-8,16-18,20,22-26,29H,9-15H2,1-6H3/t17-,18+,20+,22-,23+,24+,25+,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50257937 (CHEMBL4094610) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)C[C@@H](CC)C(C)C |r,t:9| Show InChI InChI=1S/C29H50O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,18-20,22-27,30-31H,7,9-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27+,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50257933 (CHEMBL4086897) Show SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)C[C@H](C)C(C)C |r,t:6,8| Show InChI InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7-8,17-19,21,23-26,29-30H,9-16H2,1-6H3/t18-,19-,21-,23+,24-,25-,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257938 (CHEMBL4089508) Show SMILES [H][C@@]1(O[C@]1([H])[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](CC)C(C)C |r,t:17| Show InChI InChI=1S/C29H48O2/c1-7-21(17(2)3)27-26(31-27)18(4)23-10-11-24-22-9-8-19-16-20(30)12-14-28(19,5)25(22)13-15-29(23,24)6/h8,17-18,20-27,30H,7,9-16H2,1-6H3/t18-,20-,21-,22-,23+,24-,25-,26+,27+,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257939 (CHEMBL4078083) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC(=O)[C@@H](CC)C(C)C |r,t:9| Show InChI InChI=1S/C29H48O2/c1-7-22(18(2)3)27(31)16-19(4)24-10-11-25-23-9-8-20-17-21(30)12-14-28(20,5)26(23)13-15-29(24,25)6/h8,18-19,21-26,30H,7,9-17H2,1-6H3/t19-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257937 (CHEMBL4094610) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)C[C@@H](CC)C(C)C |r,t:9| Show InChI InChI=1S/C29H50O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,18-20,22-27,30-31H,7,9-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27+,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.93E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50257938 (CHEMBL4089508) Show SMILES [H][C@@]1(O[C@]1([H])[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](CC)C(C)C |r,t:17| Show InChI InChI=1S/C29H48O2/c1-7-21(17(2)3)27-26(31-27)18(4)23-10-11-24-22-9-8-19-16-20(30)12-14-28(19,5)25(22)13-15-29(23,24)6/h8,17-18,20-27,30H,7,9-16H2,1-6H3/t18-,20-,21-,22-,23+,24-,25-,26+,27+,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.79E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50257935 (CHEMBL4067156) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@@H](O)[C@@H](CC)C(C)C |r,t:9| Show InChI InChI=1S/C29H50O2/c1-7-22(18(2)3)27(31)16-19(4)24-10-11-25-23-9-8-20-17-21(30)12-14-28(20,5)26(23)13-15-29(24,25)6/h8,18-19,21-27,30-31H,7,9-17H2,1-6H3/t19-,21+,22+,23+,24-,25+,26+,27-,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50257939 (CHEMBL4078083) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC(=O)[C@@H](CC)C(C)C |r,t:9| Show InChI InChI=1S/C29H48O2/c1-7-22(18(2)3)27(31)16-19(4)24-10-11-25-23-9-8-20-17-21(30)12-14-28(20,5)26(23)13-15-29(24,25)6/h8,18-19,21-26,30H,7,9-17H2,1-6H3/t19-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.02E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556486 (CHEMBL1508421) Show SMILES [Br-].CN(C)c1cc[n+](Cc2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50342854 (1-Benzyl-4-(pyrrolidin-1-yl)pyridinium Bromide | C...) Show SMILES C(c1ccccc1)n1ccc(cc1)=[N+]1CCCC1 |(1.13,-28.27,;2.46,-27.5,;3.79,-28.27,;5.12,-27.5,;5.12,-25.96,;3.78,-25.19,;2.45,-25.97,;-.2,-27.51,;-1.54,-28.28,;-2.87,-27.51,;-2.87,-25.96,;-1.54,-25.19,;-.21,-25.96,;-4.21,-25.19,;-4.37,-23.65,;-5.88,-23.33,;-6.65,-24.67,;-5.61,-25.81,)| Show InChI InChI=1S/C16H19N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-3,6-9,12-13H,4-5,10-11,14H2/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556487 (CHEMBL4763249) Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccccc3)c2c1)N1CCCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556488 (CHEMBL4756022) Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccccc2)c2cc(Cl)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556489 (CHEMBL4755703) Show SMILES [Br-].CN(C)c1cc[n+](Cc2ccc(cc2)-c2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556490 (CHEMBL4748826) Show SMILES [Br-].C(c1ccc(cc1)-c1ccccc1)[n+]1ccc(cc1)N1CCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556491 (CHEMBL4784458) Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccc(cc3)-c3ccccc3)c2c1)N1CCCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556492 (CHEMBL4747352) Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(cc2)-c2ccccc2)c2cc(Cl)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556493 (CHEMBL3561645) Show SMILES CN(C)c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556494 (CHEMBL4754833) Show SMILES C1CCN(C1)c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556495 (CHEMBL4796843) Show SMILES Clc1ccc2c(ccnc2c1)N1CCCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50556496 (CHEMBL4776753) Show SMILES CN(c1ccccc1)c1ccnc2cc(Cl)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline/ethanolamine kinase (Homo sapiens (Human))	BDBM50556487 (CHEMBL4763249) Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccccc3)c2c1)N1CCCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKbeta assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline/ethanolamine kinase (Homo sapiens (Human))	BDBM50556488 (CHEMBL4756022) Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccccc2)c2cc(Cl)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKbeta assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline/ethanolamine kinase (Homo sapiens (Human))	BDBM50556491 (CHEMBL4784458) Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccc(cc3)-c3ccccc3)c2c1)N1CCCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKbeta assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Choline/ethanolamine kinase (Homo sapiens (Human))	BDBM50556492 (CHEMBL4747352) Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(cc2)-c2ccccc2)c2cc(Cl)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human CKbeta assessed as dissociation constant by spectroflurometry				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112797 BindingDB Entry DOI: 10.7270/Q25X2DKT
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257930 (CHEMBL4061349) Show SMILES [H][C@]1(O[C@@]1([H])[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](CC)C(C)C |r,t:17| Show InChI InChI=1S/C29H48O2/c1-7-21(17(2)3)27-26(31-27)18(4)23-10-11-24-22-9-8-19-16-20(30)12-14-28(19,5)25(22)13-15-29(23,24)6/h8,17-18,20-27,30H,7,9-16H2,1-6H3/t18-,20-,21-,22-,23+,24-,25-,26-,27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257928 (CHEMBL4070016) Show SMILES [H][C@]1(O[C@@]1([H])[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C(C)C |r,t:14,16| Show InChI InChI=1S/C28H44O2/c1-16(2)17(3)25-26(30-25)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h7-8,16-18,20,22-26,29H,9-15H2,1-6H3/t17-,18+,20+,22-,23+,24+,25+,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50257929 (CHEMBL4097209) Show SMILES [H][C@@]1(O[C@]1([H])[C@@H](C)[C@@]1([H])CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C(C)C |r,t:14,16| Show InChI InChI=1S/C28H44O2/c1-16(2)17(3)25-26(30-25)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h7-8,16-18,20,22-26,29H,9-15H2,1-6H3/t17-,18+,20+,22-,23+,24+,25-,26-,27+,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.11E+3	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche, Università degli Studi di Perugia , Via del Liceo, 1-06123 Perugia, Italy. Curated by ChEMBL					Assay Description Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 60: 6548-6562 (2017) Article DOI: 10.1021/acs.jmedchem.7b00091 BindingDB Entry DOI: 10.7270/Q2GH9MDC
					More data for this Ligand-Target Pair