Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'bergan' and Initial = 'k'   

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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50346387 (CHEMBL1783450 | cis-rac-N-Benzyl-2-(2-phenyl-1,3-d...) Show SMILES C(C[C@@H]1CCO[C@@H](O1)c1ccccc1)NCc1ccccc1 |r| Show InChI InChI=1S/C19H23NO2/c1-3-7-16(8-4-1)15-20-13-11-18-12-14-21-19(22-18)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397373 (CHEMBL2170313) Show SMILES C[C@@]1(OCC[C@H](CCNCc2ccccc2)O1)c1ccccc1 |r| Show InChI InChI=1S/C20H25NO2/c1-20(18-10-6-3-7-11-18)22-15-13-19(23-20)12-14-21-16-17-8-4-2-5-9-17/h2-11,19,21H,12-16H2,1H3/t19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397372 (CHEMBL2170314) Show SMILES C[C@]1(OCC[C@@H](CCNCc2ccccc2)O1)c1ccccc1 |r| Show InChI InChI=1S/C20H25NO2/c1-20(18-10-6-3-7-11-18)22-15-13-19(23-20)12-14-21-16-17-8-4-2-5-9-17/h2-11,19,21H,12-16H2,1H3/t19-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50346393 (CHEMBL1783458 | trans-N-Benzyl-2-(2-ethyl-2-phenyl...) Show SMILES CC[C@]1(OCC[C@@H](CCNCc2ccccc2)O1)c1ccccc1 |r| Show InChI InChI=1S/C21H27NO2/c1-2-21(19-11-7-4-8-12-19)23-16-14-20(24-21)13-15-22-17-18-9-5-3-6-10-18/h3-12,20,22H,2,13-17H2,1H3/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397371 (CHEMBL2170178) Show SMILES CC[C@@]1(OCC[C@H](CCNCc2ccccc2)O1)c1ccccc1 |r| Show InChI InChI=1S/C21H27NO2/c1-2-21(19-11-7-4-8-12-19)23-16-14-20(24-21)13-15-22-17-18-9-5-3-6-10-18/h3-12,20,22H,2,13-17H2,1H3/t20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397374 (CHEMBL2170312) Show SMILES C(C[C@H]1CCO[C@H](O1)c1ccccc1)NCc1ccccc1 |r| Show InChI InChI=1S/C19H23NO2/c1-3-7-16(8-4-1)15-20-13-11-18-12-14-21-19(22-18)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397369 (CHEMBL2170180) Show SMILES CCC[C@]1(OCC[C@@H](CCNCc2ccccc2)O1)c1ccccc1 |r| Show InChI InChI=1S/C22H29NO2/c1-2-15-22(20-11-7-4-8-12-20)24-17-14-21(25-22)13-16-23-18-19-9-5-3-6-10-19/h3-12,21,23H,2,13-18H2,1H3/t21-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397367 (CHEMBL2170302) Show SMILES CC(C)(C)[C@]1(OCC[C@@H](CCNCc2ccccc2)O1)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO2/c1-22(2,3)23(20-12-8-5-9-13-20)25-17-15-21(26-23)14-16-24-18-19-10-6-4-7-11-19/h4-13,21,24H,14-18H2,1-3H3/t21-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397370 (CHEMBL2170179) Show SMILES CCC[C@@]1(OCC[C@H](CCNCc2ccccc2)O1)c1ccccc1 |r| Show InChI InChI=1S/C22H29NO2/c1-2-15-22(20-11-7-4-8-12-20)24-17-14-21(25-22)13-16-23-18-19-9-5-3-6-10-19/h3-12,21,23H,2,13-18H2,1H3/t21-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397368 (CHEMBL2170301) Show SMILES CC(C)(C)[C@@]1(OCC[C@H](CCNCc2ccccc2)O1)c1ccccc1 |r| Show InChI InChI=1S/C23H31NO2/c1-22(2,3)23(20-12-8-5-9-13-20)25-17-15-21(26-23)14-16-24-18-19-10-6-4-7-11-19/h4-13,21,24H,14-18H2,1-3H3/t21-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	253	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50346384 (CHEMBL1783426 | cis-rac-2-(2-Phenyl-1,3-dioxan-4-y...) Show SMILES NCC[C@@H]1CCO[C@@H](O1)c1ccccc1 |r| Show InChI InChI=1S/C12H17NO2/c13-8-6-11-7-9-14-12(15-11)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2/t11-,12+/m1/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50346390 (CHEMBL1783455 | trans-2-(2-Ethyl-2-phenyl-1,3-diox...) Show SMILES CC[C@]1(OCC[C@@H](CCN)O1)c1ccccc1 |r| Show InChI InChI=1S/C14H21NO2/c1-2-14(12-6-4-3-5-7-12)16-11-9-13(17-14)8-10-15/h3-7,13H,2,8-11,15H2,1H3/t13-,14-/m1/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397380 (CHEMBL2170306) Show SMILES C[C@]1(OCC[C@@H](CCN)O1)c1ccccc1 |r| Show InChI InChI=1S/C13H19NO2/c1-13(11-5-3-2-4-6-11)15-10-8-12(16-13)7-9-14/h2-6,12H,7-10,14H2,1H3/t12-,13-/m1/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397381 (CHEMBL2170305) Show SMILES C[C@@]1(OCC[C@H](CCN)O1)c1ccccc1 |r| Show InChI InChI=1S/C13H19NO2/c1-13(11-5-3-2-4-6-11)15-10-8-12(16-13)7-9-14/h2-6,12H,7-10,14H2,1H3/t12-,13-/m0/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50346384 (CHEMBL1783426 | cis-rac-2-(2-Phenyl-1,3-dioxan-4-y...) Show SMILES NCC[C@@H]1CCO[C@@H](O1)c1ccccc1 |r| Show InChI InChI=1S/C12H17NO2/c13-8-6-11-7-9-14-12(15-11)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2/t11-,12+/m1/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50346390 (CHEMBL1783455 | trans-2-(2-Ethyl-2-phenyl-1,3-diox...) Show SMILES CC[C@]1(OCC[C@@H](CCN)O1)c1ccccc1 |r| Show InChI InChI=1S/C14H21NO2/c1-2-14(12-6-4-3-5-7-12)16-11-9-13(17-14)8-10-15/h3-7,13H,2,8-11,15H2,1H3/t13-,14-/m1/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397379 (CHEMBL2170307) Show SMILES CC[C@@]1(OCC[C@H](CCN)O1)c1ccccc1 |r| Show InChI InChI=1S/C14H21NO2/c1-2-14(12-6-4-3-5-7-12)16-11-9-13(17-14)8-10-15/h3-7,13H,2,8-11,15H2,1H3/t13-,14-/m0/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397382 (CHEMBL2170315) Show SMILES NCC[C@H]1CCO[C@H](O1)c1ccccc1 |r| Show InChI InChI=1S/C12H17NO2/c13-8-6-11-7-9-14-12(15-11)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2/t11-,12+/m0/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397378 (CHEMBL2170308) Show SMILES CCC[C@@]1(OCC[C@H](CCN)O1)c1ccccc1 |r| Show InChI InChI=1S/C15H23NO2/c1-2-10-15(13-6-4-3-5-7-13)17-12-9-14(18-15)8-11-16/h3-7,14H,2,8-12,16H2,1H3/t14-,15-/m0/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397377 (CHEMBL2170309) Show SMILES CCC[C@]1(OCC[C@@H](CCN)O1)c1ccccc1 |r| Show InChI InChI=1S/C15H23NO2/c1-2-10-15(13-6-4-3-5-7-13)17-12-9-14(18-15)8-11-16/h3-7,14H,2,8-12,16H2,1H3/t14-,15-/m1/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397376 (CHEMBL2170310) Show SMILES CC(C)(C)[C@@]1(OCC[C@H](CCN)O1)c1ccccc1 |r| Show InChI InChI=1S/C16H25NO2/c1-15(2,3)16(13-7-5-4-6-8-13)18-12-10-14(19-16)9-11-17/h4-8,14H,9-12,17H2,1-3H3/t14-,16+/m0/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50397375 (CHEMBL2170311) Show SMILES CC(C)(C)[C@]1(OCC[C@@H](CCN)O1)c1ccccc1 |r| Show InChI InChI=1S/C16H25NO2/c1-15(2,3)16(13-7-5-4-6-8-13)18-12-10-14(19-16)9-11-17/h4-8,14H,9-12,17H2,1-3H3/t14-,16+/m1/s1	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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates				J Med Chem 55: 8953-7 (2012) Article DOI: 10.1021/jm301166m BindingDB Entry DOI: 10.7270/Q2C82BD2
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50225571 (2-(methyl, decylsulfonium-1-yl)ethylidene-1,1-bisp...) Show SMILES CCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C13H30O6P2S/c1-3-4-5-6-7-8-9-10-11-22(2)12-13(20(14,15)16)21(17,18)19/h13H,3-12H2,1-2H3,(H3-,14,15,16,17,18,19)	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	251	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25272 (CHEMBL238046 | bisphosphonate, 25 | hydrogen {2-[d...) Show SMILES CCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C15H34O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-24(2)14-15(22(16,17)18)23(19,20)21/h15H,3-14H2,1-2H3,(H3-,16,17,18,19,20,21)	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	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25287 (CHEMBL235690 | bisphosphonate, 37 | hydrogen {2-[m...) Show SMILES CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C11H26O6P2S/c1-3-4-5-6-7-8-9-20(2)10-11(18(12,13)14)19(15,16)17/h11H,3-10H2,1-2H3,(H3-,12,13,14,15,16,17)	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	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25303 (CHEMBL235059 | bisphosphonate, 50 | hydrogen {2-[m...) Show SMILES CCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C6H16O6P2S/c1-3-4-15(2)5-6(13(7,8)9)14(10,11)12/h6H,3-5H2,1-2H3,(H3-,7,8,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25302 (CHEMBL277580 | bisphosphonate, 49 | hydrogen [2-(d...) Show SMILES C[S+](C)CC(O)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C4H12O7P2S/c1-14(2)3-4(5,12(6,7)8)13(9,10)11/h5H,3H2,1-2H3,(H3-,6,7,8,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25294 (CHEMBL392884 | bisphosphonate, 43 | hydrogen {2-[m...) Show SMILES CCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C8H20O6P2S/c1-3-4-5-6-17(2)7-8(15(9,10)11)16(12,13)14/h8H,3-7H2,1-2H3,(H3-,9,10,11,12,13,14)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50225572 (2-(methyl, octadecylsulfonium-1-yl)ethylidene-1,1-...) Show SMILES CCCCCCCCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C21H46O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(2)20-21(28(22,23)24)29(25,26)27/h21H,3-20H2,1-2H3,(H3-,22,23,24,25,26,27)	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	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25275 (CHEMBL237808 | bisphosphonate, 28 | hydrogen {2-[m...) Show SMILES CCCCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C17H38O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26(2)16-17(24(18,19)20)25(21,22)23/h17H,3-16H2,1-2H3,(H3-,18,19,20,21,22,23)	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	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524576 (CHEMBL4466874) Show SMILES Fc1cc(CSc2nc(SCc3ccccc3F)[nH]c(=O)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C18H12F5N3OS2/c19-13-6-10(5-12(7-13)18(21,22)23)8-28-16-24-15(27)25-17(26-16)29-9-11-3-1-2-4-14(11)20/h1-7H,8-9H2,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524560 (CHEMBL4571449) Show SMILES CC(C)c1ccc(CSc2nc(SCc3ccccc3F)[nH]c(=O)n2)cc1 Show InChI InChI=1S/C20H20FN3OS2/c1-13(2)15-9-7-14(8-10-15)11-26-19-22-18(25)23-20(24-19)27-12-16-5-3-4-6-17(16)21/h3-10,13H,11-12H2,1-2H3,(H,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524556 (CHEMBL4574520) Show SMILES Fc1cc(CSc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C18H12ClF4N3OS2/c19-13-3-1-10(2-4-13)8-28-16-24-15(27)25-17(26-16)29-9-11-5-12(18(21,22)23)7-14(20)6-11/h1-7H,8-9H2,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50138040 ((biphenyl-3-ylamino)methylenediphosphonic acid | B...) Show SMILES OP(O)(=O)C(Nc1cccc(c1)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H15NO6P2/c15-21(16,17)13(22(18,19)20)14-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				Bioorg Med Chem 16: 8959-67 (2008) Article DOI: 10.1016/j.bmc.2008.08.047 BindingDB Entry DOI: 10.7270/Q2639PKT
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50225559 (1-hydroxy-3-(dimethylsulfonium-1-yl)propylidene-1,...) Show SMILES C[S+](C)CCC(O)(P(O)(O)=O)P(O)([O-])=O |w:5.5,11.12| Show InChI InChI=1S/C5H14O7P2S/c1-15(2)4-3-5(6,13(7,8)9)14(10,11)12/h6H,3-4H2,1-2H3,(H3-,7,8,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524566 (CHEMBL4445341) Show SMILES CC(C)c1ccc(CSc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)n2)cc1 Show InChI InChI=1S/C20H20ClN3OS2/c1-13(2)16-7-3-14(4-8-16)11-26-19-22-18(25)23-20(24-19)27-12-15-5-9-17(21)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524570 (CHEMBL4551375) Show SMILES Fc1ccccc1CSc1nc(SCc2ccc(cc2)C(F)(F)F)nc(=O)[nH]1 Show InChI InChI=1S/C18H13F4N3OS2/c19-14-4-2-1-3-12(14)10-28-17-24-15(26)23-16(25-17)27-9-11-5-7-13(8-6-11)18(20,21)22/h1-8H,9-10H2,(H,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50225563 (2-(methyl, licosylsulfonium-1-yl)ethylidene-1,1-bi...) Show SMILES CCCCCCCCCCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C23H50O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(2)22-23(30(24,25)26)31(27,28)29/h23H,3-22H2,1-2H3,(H3-,24,25,26,27,28,29)	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	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524577 (CHEMBL4474402) Show SMILES FC(F)(F)c1ccc(CSc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)n2)cc1 Show InChI InChI=1S/C18H13ClF3N3OS2/c19-14-7-3-12(4-8-14)10-28-17-24-15(26)23-16(25-17)27-9-11-1-5-13(6-2-11)18(20,21)22/h1-8H,9-10H2,(H,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524551 (CHEMBL4464742) Show SMILES Fc1cc(CSc2nc(SCc3cccc(Cl)c3)[nH]c(=O)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C18H12ClF4N3OS2/c19-13-3-1-2-10(5-13)8-28-16-24-15(27)25-17(26-16)29-9-11-4-12(18(21,22)23)7-14(20)6-11/h1-7H,8-9H2,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524543 (CHEMBL4475269) Show SMILES Fc1cc(F)c(CSc2nc(SCc3cccc(Cl)c3)[nH]c(=O)n2)cc1F Show InChI InChI=1S/C17H11ClF3N3OS2/c18-11-3-1-2-9(4-11)7-26-16-22-15(25)23-17(24-16)27-8-10-5-13(20)14(21)6-12(10)19/h1-6H,7-8H2,(H,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524548 (CHEMBL4448631) Show SMILES CC(C)c1ccc(CSc2nc(SCc3cccc(Cl)c3)[nH]c(=O)n2)cc1 Show InChI InChI=1S/C20H20ClN3OS2/c1-13(2)16-8-6-14(7-9-16)11-26-19-22-18(25)23-20(24-19)27-12-15-4-3-5-17(21)10-15/h3-10,13H,11-12H2,1-2H3,(H,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524553 (CHEMBL4456760) Show SMILES FC(F)(F)c1ccc(CSc2nc(SCc3cccc(Cl)c3)[nH]c(=O)n2)cc1 Show InChI InChI=1S/C18H13ClF3N3OS2/c19-14-3-1-2-12(8-14)10-28-17-24-15(26)23-16(25-17)27-9-11-4-6-13(7-5-11)18(20,21)22/h1-8H,9-10H2,(H,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524544 (CHEMBL4538702) Show SMILES Fc1cc(F)c(CSc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)n2)cc1F Show InChI InChI=1S/C17H11ClF3N3OS2/c18-11-3-1-9(2-4-11)7-26-16-22-15(25)23-17(24-16)27-8-10-5-13(20)14(21)6-12(10)19/h1-6H,7-8H2,(H,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524542 (CHEMBL4563940) Show SMILES CC(C(O)=O)c1ccc(CSc2nc(SCc3ccccc3F)[nH]c(=O)n2)cc1 Show InChI InChI=1S/C20H18FN3O3S2/c1-12(17(25)26)14-8-6-13(7-9-14)10-28-19-22-18(27)23-20(24-19)29-11-15-4-2-3-5-16(15)21/h2-9,12H,10-11H2,1H3,(H,25,26)(H,22,23,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524564 (CHEMBL4454954) Show SMILES Fc1cccc(F)c1CSc1nc(SCc2ccc(Cl)cc2)[nH]c(=O)n1 Show InChI InChI=1S/C17H12ClF2N3OS2/c18-11-6-4-10(5-7-11)8-25-16-21-15(24)22-17(23-16)26-9-12-13(19)2-1-3-14(12)20/h1-7H,8-9H2,(H,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human FPPS				Bioorg Med Chem 16: 8959-67 (2008) Article DOI: 10.1016/j.bmc.2008.08.047 BindingDB Entry DOI: 10.7270/Q2639PKT
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50524572 (CHEMBL4590533) Show SMILES Oc1cccc(CSc2nc(SCc3cccc(Cl)c3)[nH]c(=O)n2)c1 Show InChI InChI=1S/C17H14ClN3O2S2/c18-13-5-1-3-11(7-13)9-24-16-19-15(23)20-17(21-16)25-10-12-4-2-6-14(22)8-12/h1-8,22H,9-10H2,(H,19,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
					More data for this Ligand-Target Pair

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