Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'diaz fernández' and Initial = 'jl'   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM317225 (6-(Azepan-1- ylmethyl)-2- phenylimidazo[2,1- b]thi...) Show SMILES C(N1CCCCCC1)c1cn2cc(sc2n1)-c1ccccc1 Show InChI InChI=1S/C18H21N3S/c1-2-7-11-20(10-6-1)12-16-13-21-14-17(22-18(21)19-16)15-8-4-3-5-9-15/h3-5,8-9,13-14H,1-2,6-7,10-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIES DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9617281 (2017) BindingDB Entry DOI: 10.7270/Q27W6F7J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM317227 (6-((2-(Azepan-1- ylethoxy)methyl)-2- phenylimidazo...) Show SMILES C(CN1CCCCCC1)OCc1cn2cc(sc2n1)-c1ccccc1 Show InChI InChI=1S/C20H25N3OS/c1-2-7-11-22(10-6-1)12-13-24-16-18-14-23-15-19(25-20(23)21-18)17-8-4-3-5-9-17/h3-5,8-9,14-15H,1-2,6-7,10-13,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIES DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9617281 (2017) BindingDB Entry DOI: 10.7270/Q27W6F7J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM317226 (6-((4- Methylpiperazin-1- ylmethyl)-2- phenylimida...) Show SMILES CN1CCN(Cc2cn3cc(sc3n2)-c2ccccc2)CC1 Show InChI InChI=1S/C17H20N4S/c1-19-7-9-20(10-8-19)11-15-12-21-13-16(22-17(21)18-15)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIES DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9617281 (2017) BindingDB Entry DOI: 10.7270/Q27W6F7J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM317230 (2-(Azepan-1- ylmethyl)-6- phenylimidazo[2,1- b]thi...) Show SMILES C(N1CCCCCC1)c1cn2cc(nc2s1)-c1ccccc1 Show InChI InChI=1S/C18H21N3S/c1-2-7-11-20(10-6-1)12-16-13-21-14-17(19-18(21)22-16)15-8-4-3-5-9-15/h3-5,8-9,13-14H,1-2,6-7,10-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIES DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9617281 (2017) BindingDB Entry DOI: 10.7270/Q27W6F7J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM317218 (US9617281, Compound 4) Show SMILES C(CN1CCCCCC1)OCc1cn2nc(sc2n1)-c1ccccc1 Show InChI InChI=1S/C19H24N4OS/c1-2-7-11-22(10-6-1)12-13-24-15-17-14-23-19(20-17)25-18(21-23)16-8-4-3-5-9-16/h3-5,8-9,14H,1-2,6-7,10-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIES DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9617281 (2017) BindingDB Entry DOI: 10.7270/Q27W6F7J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM317228 (2-Phenyl-6-((2- (pyrrolidin-1- yl)ethoxy)methyl) i...) Show SMILES C(CN1CCCC1)OCc1cn2cc(sc2n1)-c1ccccc1 Show InChI InChI=1S/C18H21N3OS/c1-2-6-15(7-3-1)17-13-21-12-16(19-18(21)23-17)14-22-11-10-20-8-4-5-9-20/h1-3,6-7,12-13H,4-5,8-11,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIES DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9617281 (2017) BindingDB Entry DOI: 10.7270/Q27W6F7J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM317231 (2-(4-Fluorophenyl)- 6-((4- methylpiperazin-1- yl)m...) Show SMILES CN1CCN(Cc2cn3cc(sc3n2)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H19FN4S/c1-20-6-8-21(9-7-20)10-15-11-22-12-16(23-17(22)19-15)13-2-4-14(18)5-3-13/h2-5,11-12H,6-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIES DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9617281 (2017) BindingDB Entry DOI: 10.7270/Q27W6F7J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM317229 (6-((4- Methylpiperazin-1- ylmethyl)-2- phenylimida...) Show SMILES CN1CCN(Cc2cn3nc(sc3n2)-c2ccccc2)CC1 Show InChI InChI=1S/C16H19N5S/c1-19-7-9-20(10-8-19)11-14-12-21-16(17-14)22-15(18-21)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIES DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9617281 (2017) BindingDB Entry DOI: 10.7270/Q27W6F7J
					More data for this Ligand-Target Pair