Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'grancara' and Initial = 's'   

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))	BDBM50427884 (CHEMBL2324613) Show SMILES O=C(CCCCC1CCSS1)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C18H32N2OS2/c21-18(9-5-4-8-17-10-15-22-23-17)20-13-11-19(12-14-20)16-6-2-1-3-7-16/h16-17H,1-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis				J Med Chem 56: 2447-55 (2013) Article DOI: 10.1021/jm3017893 BindingDB Entry DOI: 10.7270/Q2KW5HDB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50427880 (CHEMBL2324619) Show SMILES O=C(CCCCC1CCSS1)OC1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C20H35NO2S2/c22-20(9-5-4-8-19-12-15-24-25-19)23-18-10-13-21(14-11-18)16-17-6-2-1-3-7-17/h17-19H,1-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis				J Med Chem 56: 2447-55 (2013) Article DOI: 10.1021/jm3017893 BindingDB Entry DOI: 10.7270/Q2KW5HDB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50427876 (CHEMBL2324614) Show SMILES O=C(CCCCC1CCSS1)N1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C19H34N2OS2/c22-19(9-5-4-8-18-10-15-23-24-18)21-13-11-20(12-14-21)16-17-6-2-1-3-7-17/h17-18H,1-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in human jurkat cell membrane after 2 hrs by liquid scintillation counting analysis in pres...				J Med Chem 56: 2447-55 (2013) Article DOI: 10.1021/jm3017893 BindingDB Entry DOI: 10.7270/Q2KW5HDB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50427883 (CHEMBL2324616) Show SMILES O=C(CCCCC1CCSS1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H28N2OS2/c22-19(9-5-4-8-18-10-15-23-24-18)21-13-11-20(12-14-21)16-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis				J Med Chem 56: 2447-55 (2013) Article DOI: 10.1021/jm3017893 BindingDB Entry DOI: 10.7270/Q2KW5HDB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50427879 (CHEMBL2324620) Show SMILES O=C(CCCCC1CCSS1)OC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H29NO2S2/c22-20(9-5-4-8-19-12-15-24-25-19)23-18-10-13-21(14-11-18)16-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis				J Med Chem 56: 2447-55 (2013) Article DOI: 10.1021/jm3017893 BindingDB Entry DOI: 10.7270/Q2KW5HDB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50427882 (CHEMBL2324617) Show SMILES O=C(CCCCC1CCSS1)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C20H30N2OS2/c23-20(9-5-4-8-19-11-17-24-25-19)22-15-13-21(14-16-22)12-10-18-6-2-1-3-7-18/h1-3,6-7,19H,4-5,8-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis				J Med Chem 56: 2447-55 (2013) Article DOI: 10.1021/jm3017893 BindingDB Entry DOI: 10.7270/Q2KW5HDB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50427881 (CHEMBL2324618) Show SMILES O=C(CCCCC1CCSS1)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C21H32N2OS2/c24-21(11-5-4-10-20-12-18-25-26-20)23-16-14-22(15-17-23)13-6-9-19-7-2-1-3-8-19/h1-3,7-8,20H,4-6,9-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis				J Med Chem 56: 2447-55 (2013) Article DOI: 10.1021/jm3017893 BindingDB Entry DOI: 10.7270/Q2KW5HDB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50427878 (CHEMBL2324621) Show SMILES O=C(CCCCC1CCSS1)OC1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C21H31NO2S2/c23-21(9-5-4-8-20-13-17-25-26-20)24-19-11-15-22(16-12-19)14-10-18-6-2-1-3-7-18/h1-3,6-7,19-20H,4-5,8-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis				J Med Chem 56: 2447-55 (2013) Article DOI: 10.1021/jm3017893 BindingDB Entry DOI: 10.7270/Q2KW5HDB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50427877 (CHEMBL2324611) Show SMILES O=C(CCCCC1CCSS1)OC1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C22H33NO2S2/c24-22(11-5-4-10-21-14-18-26-27-21)25-20-12-16-23(17-13-20)15-6-9-19-7-2-1-3-8-19/h1-3,7-8,20-21H,4-6,9-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis				J Med Chem 56: 2447-55 (2013) Article DOI: 10.1021/jm3017893 BindingDB Entry DOI: 10.7270/Q2KW5HDB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50427885 (CHEMBL2324612) Show SMILES CN1CCN(CC1)C(=O)CCCCC1CCSS1 Show InChI InChI=1S/C13H24N2OS2/c1-14-7-9-15(10-8-14)13(16)5-3-2-4-12-6-11-17-18-12/h12H,2-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis				J Med Chem 56: 2447-55 (2013) Article DOI: 10.1021/jm3017893 BindingDB Entry DOI: 10.7270/Q2KW5HDB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50427875 (CHEMBL2324615) Show SMILES O=C(CCCCC1CCSS1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C18H26N2OS2/c21-18(9-5-4-8-17-10-15-22-23-17)20-13-11-19(12-14-20)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in human jurkat cell membrane after 2 hrs by liquid scintillation counting analysis in pres...				J Med Chem 56: 2447-55 (2013) Article DOI: 10.1021/jm3017893 BindingDB Entry DOI: 10.7270/Q2KW5HDB
					More data for this Ligand-Target Pair