Compile Data Set for Download or QSAR

Found 10 hits from Guangdong Medical College   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50009307 (DITOLYLGUANIDINE | Di-o-tolylguanidine) Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical College Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting				Bioorg Med Chem 23: 1463-71 (2015) Article DOI: 10.1016/j.bmc.2015.02.012 BindingDB Entry DOI: 10.7270/Q24Q7WPG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50065631 (CHEMBL3401447) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NC2CC3CCCC(C2)C3N)c1 |THB:21:22:25.26.27:30,(4.99,-7.1,;5.65,-6.05,;5.07,-4.62,;6.24,-3.67,;7.54,-4.45,;9.03,-4,;10.15,-5.09,;11.02,-5.97,;10.42,-3.89,;9.78,-6.58,;8.28,-7.03,;7.98,-8.22,;7.18,-5.94,;6.12,-2.13,;7.4,-1.26,;7.28,.28,;5.9,.95,;5.78,2.49,;4.67,3.03,;6.8,3.18,;4.62,.08,;3.23,.75,;1.97,-.11,;.74,-.23,;-.68,.38,;-2,-.31,;-2.31,-1.78,;-1.3,-1.04,;.09,-.99,;1.31,-1.6,;-.46,1.79,;-.49,3.03,;4.73,-1.46,)| Show InChI InChI=1S/C26H35N5O2/c1-14-23-21(12-26(2,3)13-22(23)32)31(30-14)18-7-8-19(25(28)33)20(11-18)29-17-9-15-5-4-6-16(10-17)24(15)27/h7-8,11,15-17,24,29H,4-6,9-10,12-13,27H2,1-3H3,(H2,28,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical College Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting				Bioorg Med Chem 23: 1463-71 (2015) Article DOI: 10.1016/j.bmc.2015.02.012 BindingDB Entry DOI: 10.7270/Q24Q7WPG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50065632 (CHEMBL3401448) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NC2CC3CCCC(C2)C3NCCO)c1 |THB:21:22:25.26.27:30,(4.98,-7.08,;5.64,-6.04,;5.06,-4.61,;6.23,-3.66,;7.53,-4.44,;9.01,-4,;10.13,-5.08,;11,-5.96,;10.4,-3.88,;9.76,-6.57,;8.27,-7.02,;7.97,-8.21,;7.17,-5.93,;6.11,-2.12,;7.39,-1.26,;7.27,.28,;5.89,.95,;5.77,2.49,;4.67,3.02,;6.79,3.18,;4.61,.08,;3.22,.75,;1.97,-.11,;.74,-.23,;-.68,.38,;-1.99,-.31,;-2.31,-1.77,;-1.29,-1.03,;.09,-.99,;1.31,-1.6,;-.46,1.79,;-.47,3.3,;.86,4.08,;.85,5.62,;1.91,6.24,;4.73,-1.45,)| Show InChI InChI=1S/C28H39N5O3/c1-16-25-23(14-28(2,3)15-24(25)35)33(32-16)20-7-8-21(27(29)36)22(13-20)31-19-11-17-5-4-6-18(12-19)26(17)30-9-10-34/h7-8,13,17-19,26,30-31,34H,4-6,9-12,14-15H2,1-3H3,(H2,29,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical College Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting				Bioorg Med Chem 23: 1463-71 (2015) Article DOI: 10.1016/j.bmc.2015.02.012 BindingDB Entry DOI: 10.7270/Q24Q7WPG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50065633 (CHEMBL3401449) Show SMILES COc1cc2CCN(CCNc3cc(ccc3C(N)=O)-n3nc(C)c4c3CC(C)(C)CC4=O)Cc2cc1OC Show InChI InChI=1S/C30H37N5O4/c1-18-28-24(15-30(2,3)16-25(28)36)35(33-18)21-6-7-22(29(31)37)23(14-21)32-9-11-34-10-8-19-12-26(38-4)27(39-5)13-20(19)17-34/h6-7,12-14,32H,8-11,15-17H2,1-5H3,(H2,31,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical College Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting				Bioorg Med Chem 23: 1463-71 (2015) Article DOI: 10.1016/j.bmc.2015.02.012 BindingDB Entry DOI: 10.7270/Q24Q7WPG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50065635 (CHEMBL3401451) Show SMILES COc1cc2CCN(CCCCNc3cc(ccc3C(N)=O)-n3nc(C)c4c3CC(C)(C)CC4=O)Cc2cc1OC Show InChI InChI=1S/C32H41N5O4/c1-20-30-26(17-32(2,3)18-27(30)38)37(35-20)23-8-9-24(31(33)39)25(16-23)34-11-6-7-12-36-13-10-21-14-28(40-4)29(41-5)15-22(21)19-36/h8-9,14-16,34H,6-7,10-13,17-19H2,1-5H3,(H2,33,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical College Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting				Bioorg Med Chem 23: 1463-71 (2015) Article DOI: 10.1016/j.bmc.2015.02.012 BindingDB Entry DOI: 10.7270/Q24Q7WPG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50065636 (CHEMBL3401452) Show SMILES COc1cc2CCN(CCCCCNc3cc(ccc3C(N)=O)-n3nc(C)c4c3CC(C)(C)CC4=O)Cc2cc1OC Show InChI InChI=1S/C33H43N5O4/c1-21-31-27(18-33(2,3)19-28(31)39)38(36-21)24-9-10-25(32(34)40)26(17-24)35-12-7-6-8-13-37-14-11-22-15-29(41-4)30(42-5)16-23(22)20-37/h9-10,15-17,35H,6-8,11-14,18-20H2,1-5H3,(H2,34,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical College Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting				Bioorg Med Chem 23: 1463-71 (2015) Article DOI: 10.1016/j.bmc.2015.02.012 BindingDB Entry DOI: 10.7270/Q24Q7WPG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50065637 (CHEMBL3401453) Show SMILES COc1cc2CCN(CCCCCCNc3cc(ccc3C(N)=O)-n3nc(C)c4c3CC(C)(C)CC4=O)Cc2cc1OC Show InChI InChI=1S/C34H45N5O4/c1-22-32-28(19-34(2,3)20-29(32)40)39(37-22)25-10-11-26(33(35)41)27(18-25)36-13-8-6-7-9-14-38-15-12-23-16-30(42-4)31(43-5)17-24(23)21-38/h10-11,16-18,36H,6-9,12-15,19-21H2,1-5H3,(H2,35,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical College Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting				Bioorg Med Chem 23: 1463-71 (2015) Article DOI: 10.1016/j.bmc.2015.02.012 BindingDB Entry DOI: 10.7270/Q24Q7WPG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50065638 (CHEMBL3401454) Show SMILES COc1cc2CCN(Cc2cc1OC)c1cc(ccc1C(N)=O)-n1nc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C28H32N4O4/c1-16-26-22(13-28(2,3)14-23(26)33)32(30-16)19-6-7-20(27(29)34)21(12-19)31-9-8-17-10-24(35-4)25(36-5)11-18(17)15-31/h6-7,10-12H,8-9,13-15H2,1-5H3,(H2,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical College Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting				Bioorg Med Chem 23: 1463-71 (2015) Article DOI: 10.1016/j.bmc.2015.02.012 BindingDB Entry DOI: 10.7270/Q24Q7WPG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50065630 (CHEMBL3401446) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NC2CC3CCCC(C2)C3NCc2ccccc2)c1 |THB:21:22:25.26.27:30,(4.98,-7.08,;5.64,-6.04,;5.06,-4.61,;6.23,-3.66,;7.53,-4.44,;9.01,-4,;10.13,-5.08,;11,-5.96,;10.4,-3.88,;9.76,-6.57,;8.27,-7.02,;7.97,-8.21,;7.17,-5.93,;6.11,-2.12,;7.39,-1.26,;7.27,.28,;5.89,.95,;5.77,2.49,;4.67,3.02,;6.79,3.18,;4.61,.08,;3.22,.75,;1.97,-.11,;.74,-.23,;-.68,.38,;-1.99,-.31,;-2.31,-1.77,;-1.29,-1.03,;.09,-.99,;1.31,-1.6,;-.46,1.79,;-.47,3.3,;.86,4.08,;.85,5.62,;2.18,6.4,;2.16,7.94,;.82,8.7,;-.5,7.92,;-.49,6.38,;4.73,-1.45,)| Show InChI InChI=1S/C33H41N5O2/c1-20-30-28(17-33(2,3)18-29(30)39)38(37-20)25-12-13-26(32(34)40)27(16-25)36-24-14-22-10-7-11-23(15-24)31(22)35-19-21-8-5-4-6-9-21/h4-6,8-9,12-13,16,22-24,31,35-36H,7,10-11,14-15,17-19H2,1-3H3,(H2,34,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical College Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting				Bioorg Med Chem 23: 1463-71 (2015) Article DOI: 10.1016/j.bmc.2015.02.012 BindingDB Entry DOI: 10.7270/Q24Q7WPG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50065634 (CHEMBL3401450) Show SMILES COc1cc2CCN(CCCNc3cc(ccc3C(N)=O)-n3nc(C)c4c3CC(C)(C)CC4=O)Cc2cc1OC Show InChI InChI=1S/C31H39N5O4/c1-19-29-25(16-31(2,3)17-26(29)37)36(34-19)22-7-8-23(30(32)38)24(15-22)33-10-6-11-35-12-9-20-13-27(39-4)28(40-5)14-21(20)18-35/h7-8,13-15,33H,6,9-12,16-18H2,1-5H3,(H2,32,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Medical College Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting				Bioorg Med Chem 23: 1463-71 (2015) Article DOI: 10.1016/j.bmc.2015.02.012 BindingDB Entry DOI: 10.7270/Q24Q7WPG
					More data for this Ligand-Target Pair