Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'fan' and Initial = 'kh'   

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))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50338990 (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50338989 (5-Bromo-N-(4-((3,4-dimethoxyphenethyl)(methyl)-ami...) Show SMILES COc1cc(Br)cc(C(=O)NCCCCN(C)CCc2ccccc2)c1OC Show InChI InChI=1S/C22H29BrN2O3/c1-25(14-11-17-9-5-4-6-10-17)13-8-7-12-24-22(26)19-15-18(23)16-20(27-2)21(19)28-3/h4-6,9-10,15-16H,7-8,11-14H2,1-3H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	583	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50206199 (CHEMBL391153 | N-(4-(3,4-dimethoxyphenethylamino)b...) Show SMILES COc1ccc(CCNCCCCNC(=O)c2cc(Br)cc(OC)c2OC)cc1OC Show InChI InChI=1S/C23H31BrN2O5/c1-28-19-8-7-16(13-20(19)29-2)9-12-25-10-5-6-11-26-23(27)18-14-17(24)15-21(30-3)22(18)31-4/h7-8,13-15,25H,5-6,9-12H2,1-4H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50137618 (5-Bromo-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC Show InChI InChI=1S/C24H31BrN2O5/c1-29-20-11-16-7-10-27(15-17(16)12-21(20)30-2)9-6-5-8-26-24(28)19-13-18(25)14-22(31-3)23(19)32-4/h11-14H,5-10,15H2,1-4H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	881	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50338983 (5-Bromo-N-(4-(5,6-dimethoxyisoindolin-2-yl)butyl)-...) Show SMILES COc1cc2CN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC Show InChI InChI=1S/C23H29BrN2O5/c1-28-19-9-15-13-26(14-16(15)10-20(19)29-2)8-6-5-7-25-23(27)18-11-17(24)12-21(30-3)22(18)31-4/h9-12H,5-8,13-14H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50338986 (5-Bromo-N-(4-(7,8-dimethoxy-4,5-dihydro-1H-benzo[c...) Show SMILES COc1cc2CCCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC Show InChI InChI=1S/C25H33BrN2O5/c1-30-21-12-17-8-7-11-28(16-18(17)13-22(21)31-2)10-6-5-9-27-25(29)20-14-19(26)15-23(32-3)24(20)33-4/h12-15H,5-11,16H2,1-4H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50338987 (5-Bromo-N-(4-(7,8-dimethoxy-2,3,4,5-tetrahydro-1Hb...) Show SMILES COc1cc2CCCCN(CCCCN(N)C(=O)c3cc(Br)cc(OC)c3OC)c2cc1OC Show InChI InChI=1S/C25H34BrN3O5/c1-31-21-13-17-9-5-6-10-28(20(17)16-22(21)32-2)11-7-8-12-29(27)25(30)19-14-18(26)15-23(33-3)24(19)34-4/h13-16H,5-12,27H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50338988 (5-Bromo-N-(4-(6,7-dimethoxy-3,4-dihydroquinolin-1(...) Show SMILES COc1cc2CCCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)c2cc1OC Show InChI InChI=1S/C24H31BrN2O5/c1-29-20-12-16-8-7-11-27(19(16)15-21(20)30-2)10-6-5-9-26-24(28)18-13-17(25)14-22(31-3)23(18)32-4/h12-15H,5-11H2,1-4H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50338985 (5-Bromo-N-(4-(5,6-dimethoxyindolin-1-yl)butyl)-2,3...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)c2cc1OC Show InChI InChI=1S/C23H29BrN2O5/c1-28-19-11-15-7-10-26(18(15)14-20(19)29-2)9-6-5-8-25-23(27)17-12-16(24)13-21(30-3)22(17)31-4/h11-14H,5-10H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50338984 (5-Bromo-N-(4-(7,8-dimethoxy-4,5-dihydro-1H-benzo[d...) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)CCc2cc1OC Show InChI InChI=1S/C25H33BrN2O5/c1-30-21-13-17-7-11-28(12-8-18(17)14-22(21)31-2)10-6-5-9-27-25(29)20-15-19(26)16-23(32-3)24(20)33-4/h13-16H,5-12H2,1-4H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane				Bioorg Med Chem 19: 1852-9 (2011) Article DOI: 10.1016/j.bmc.2011.02.006 BindingDB Entry DOI: 10.7270/Q2K64JC1
					More data for this Ligand-Target Pair