Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'peters' and Initial = 'r'   

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))	BDBM50068459 (1-[2-(4-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1 Show InChI InChI=1S/C22H30N2O/c1-25-22-11-9-21(10-12-22)13-15-24-18-16-23(17-19-24)14-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50068454 (1-[2-(3-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...) Show SMILES COc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1 Show InChI InChI=1S/C22H30N2O/c1-25-22-11-5-9-21(19-22)12-14-24-17-15-23(16-18-24)13-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,19H,6,10,12-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					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	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040266 (CHEMBL3359513) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1O Show InChI InChI=1S/C22H30N2O2/c1-26-22-18-20(9-10-21(22)25)11-13-24-16-14-23(15-17-24)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,18,25H,5,8,11-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50068452 (1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-phenyl-prop...) Show SMILES Clc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1Cl Show InChI InChI=1S/C21H26Cl2N2/c22-20-9-8-19(17-21(20)23)10-12-25-15-13-24(14-16-25)11-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,17H,4,7,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040256 (CHEMBL3352893) Show SMILES C(CN1CCN(CCc2ccc3OCOc3c2)CC1)Cc1ccccc1 Show InChI InChI=1S/C22H28N2O2/c1-2-5-19(6-3-1)7-4-11-23-13-15-24(16-14-23)12-10-20-8-9-21-22(17-20)26-18-25-21/h1-3,5-6,8-9,17H,4,7,10-16,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50068450 (1-[2-(2-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...) Show SMILES COc1ccccc1CCN1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C22H30N2O/c1-25-22-12-6-5-11-21(22)13-15-24-18-16-23(17-19-24)14-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-12H,7,10,13-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
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	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040264 (CHEMBL3360017) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCF Show InChI InChI=1S/C23H31FN2O2/c1-27-23-18-21(9-10-22(23)28-19-24)11-13-26-16-14-25(15-17-26)12-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-10,18H,5,8,11-17,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040265 (CHEMBL3360016) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCF Show InChI InChI=1S/C24H33FN2O2/c1-28-24-20-22(9-10-23(24)29-19-12-25)11-14-27-17-15-26(16-18-27)13-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-10,20H,5,8,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040258 (CHEMBL3360026) Show SMILES C(CN1CCN(CCc2ccc3OCCOc3c2)CC1)Cc1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-2-5-20(6-3-1)7-4-11-24-13-15-25(16-14-24)12-10-21-8-9-22-23(19-21)27-18-17-26-22/h1-3,5-6,8-9,19H,4,7,10-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040263 (CHEMBL3360019) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC\C=C/I Show InChI InChI=1S/C25H33IN2O2/c1-29-25-21-23(10-11-24(25)30-20-6-13-26)12-15-28-18-16-27(17-19-28)14-5-9-22-7-3-2-4-8-22/h2-4,6-8,10-11,13,21H,5,9,12,14-20H2,1H3/b13-6-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040261 (CHEMBL3360024) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCc1ccccc1 Show InChI InChI=1S/C30H38N2O2/c1-33-30-25-28(14-15-29(30)34-24-17-27-11-6-3-7-12-27)16-19-32-22-20-31(21-23-32)18-8-13-26-9-4-2-5-10-26/h2-7,9-12,14-15,25H,8,13,16-24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040251 (CHEMBL3360018) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC\C=C\I Show InChI InChI=1S/C25H33IN2O2/c1-29-25-21-23(10-11-24(25)30-20-6-13-26)12-15-28-18-16-27(17-19-28)14-5-9-22-7-3-2-4-8-22/h2-4,6-8,10-11,13,21H,5,9,12,14-20H2,1H3/b13-6+	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
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040259 (CHEMBL3360025) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C31H40N2O2/c1-34-31-26-29(16-17-30(31)35-25-9-15-28-12-6-3-7-13-28)18-20-33-23-21-32(22-24-33)19-8-14-27-10-4-2-5-11-27/h2-7,10-13,16-17,26H,8-9,14-15,18-25H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040257 (CHEMBL3360027) Show SMILES C(CN1CCN(CCc2ccc3OCCCOc3c2)CC1)Cc1ccccc1 Show InChI InChI=1S/C24H32N2O2/c1-2-6-21(7-3-1)8-4-12-25-14-16-26(17-15-25)13-11-22-9-10-23-24(20-22)28-19-5-18-27-23/h1-3,6-7,9-10,20H,4-5,8,11-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040255 (CHEMBL3360023) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1 Show InChI InChI=1S/C29H36N2O2/c1-32-29-23-26(14-15-28(29)33-24-27-11-6-3-7-12-27)16-18-31-21-19-30(20-22-31)17-8-13-25-9-4-2-5-10-25/h2-7,9-12,14-15,23H,8,13,16-22,24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (MOUSE)	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from mouse SERT in whole brain membrane				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040262 (CHEMBL3360021) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCBr Show InChI InChI=1S/C24H33BrN2O2/c1-28-24-20-22(9-10-23(24)29-19-12-25)11-14-27-17-15-26(16-18-27)13-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-10,20H,5,8,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040252 (CHEMBL3360020) Show SMILES CCCOc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C25H36N2O2/c1-3-20-29-24-12-11-23(21-25(24)28-2)13-15-27-18-16-26(17-19-27)14-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-12,21H,3,7,10,13-20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50040254 (CHEMBL3360022) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCC=C Show InChI InChI=1S/C25H34N2O2/c1-3-20-29-24-12-11-23(21-25(24)28-2)13-15-27-18-16-26(17-19-27)14-7-10-22-8-5-4-6-9-22/h3-6,8-9,11-12,21H,1,7,10,13-20H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
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	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50040259 (CHEMBL3360025) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C31H40N2O2/c1-34-31-26-29(16-17-30(31)35-25-9-15-28-12-6-3-7-13-28)18-20-33-23-21-32(22-24-33)19-8-14-27-10-4-2-5-11-27/h2-7,10-13,16-17,26H,8-9,14-15,18-25H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50040255 (CHEMBL3360023) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1 Show InChI InChI=1S/C29H36N2O2/c1-32-29-23-26(14-15-28(29)33-24-27-11-6-3-7-12-27)16-18-31-21-19-30(20-22-31)17-8-13-25-9-4-2-5-10-25/h2-7,9-12,14-15,23H,8,13,16-22,24H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (MOUSE)	BDBM50040252 (CHEMBL3360020) Show SMILES CCCOc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C25H36N2O2/c1-3-20-29-24-12-11-23(21-25(24)28-2)13-15-27-18-16-26(17-19-27)14-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-12,21H,3,7,10,13-20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from mouse SERT in whole brain membrane				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (MOUSE)	BDBM50040255 (CHEMBL3360023) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1 Show InChI InChI=1S/C29H36N2O2/c1-32-29-23-26(14-15-28(29)33-24-27-11-6-3-7-12-27)16-18-31-21-19-30(20-22-31)17-8-13-25-9-4-2-5-10-25/h2-7,9-12,14-15,23H,8,13,16-22,24H2,1H3	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
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from mouse SERT in whole brain membrane				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (MOUSE)	BDBM50040251 (CHEMBL3360018) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC\C=C\I Show InChI InChI=1S/C25H33IN2O2/c1-29-25-21-23(10-11-24(25)30-20-6-13-26)12-15-28-18-16-27(17-19-28)14-5-9-22-7-3-2-4-8-22/h2-4,6-8,10-11,13,21H,5,9,12,14-20H2,1H3/b13-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from mouse SERT in whole brain membrane				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50040263 (CHEMBL3360019) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC\C=C/I Show InChI InChI=1S/C25H33IN2O2/c1-29-25-21-23(10-11-24(25)30-20-6-13-26)12-15-28-18-16-27(17-19-28)14-5-9-22-7-3-2-4-8-22/h2-4,6-8,10-11,13,21H,5,9,12,14-20H2,1H3/b13-6-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (MOUSE)	BDBM50040254 (CHEMBL3360022) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCC=C Show InChI InChI=1S/C25H34N2O2/c1-3-20-29-24-12-11-23(21-25(24)28-2)13-15-27-18-16-26(17-19-27)14-7-10-22-8-5-4-6-9-22/h3-6,8-9,11-12,21H,1,7,10,13-20H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from mouse SERT in whole brain membrane				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (MOUSE)	BDBM50040256 (CHEMBL3352893) Show SMILES C(CN1CCN(CCc2ccc3OCOc3c2)CC1)Cc1ccccc1 Show InChI InChI=1S/C22H28N2O2/c1-2-5-19(6-3-1)7-4-11-23-13-15-24(16-14-23)12-10-20-8-9-21-22(17-20)26-18-25-21/h1-3,5-6,8-9,17H,4,7,10-16,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from mouse SERT in whole brain membrane				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50040251 (CHEMBL3360018) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OC\C=C\I Show InChI InChI=1S/C25H33IN2O2/c1-29-25-21-23(10-11-24(25)30-20-6-13-26)12-15-28-18-16-27(17-19-28)14-5-9-22-7-3-2-4-8-22/h2-4,6-8,10-11,13,21H,5,9,12,14-20H2,1H3/b13-6+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (MOUSE)	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	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from mouse SERT in whole brain membrane				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (MOUSE)	BDBM50068454 (1-[2-(3-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...) Show SMILES COc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1 Show InChI InChI=1S/C22H30N2O/c1-25-22-11-5-9-21(19-22)12-14-24-17-15-23(16-18-24)13-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,19H,6,10,12-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	985	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from mouse SERT in whole brain membrane				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50068454 (1-[2-(3-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...) Show SMILES COc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1 Show InChI InChI=1S/C22H30N2O/c1-25-22-11-5-9-21(19-22)12-14-24-17-15-23(16-18-24)13-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,19H,6,10,12-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50068459 (1-[2-(4-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1 Show InChI InChI=1S/C22H30N2O/c1-25-22-11-9-21(10-12-22)13-15-24-18-16-23(17-19-24)14-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (MOUSE)	BDBM50068459 (1-[2-(4-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1 Show InChI InChI=1S/C22H30N2O/c1-25-22-11-9-21(10-12-22)13-15-24-18-16-23(17-19-24)14-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from mouse SERT in whole brain membrane				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50040252 (CHEMBL3360020) Show SMILES CCCOc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C25H36N2O2/c1-3-20-29-24-12-11-23(21-25(24)28-2)13-15-27-18-16-26(17-19-27)14-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-12,21H,3,7,10,13-20H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50040256 (CHEMBL3352893) Show SMILES C(CN1CCN(CCc2ccc3OCOc3c2)CC1)Cc1ccccc1 Show InChI InChI=1S/C22H28N2O2/c1-2-5-19(6-3-1)7-4-11-23-13-15-24(16-14-23)12-10-20-8-9-21-22(17-20)26-18-25-21/h1-3,5-6,8-9,17H,4,7,10-16,18H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50040254 (CHEMBL3360022) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCC=C Show InChI InChI=1S/C25H34N2O2/c1-3-20-29-24-12-11-23(21-25(24)28-2)13-15-27-18-16-26(17-19-27)14-7-10-22-8-5-4-6-9-22/h3-6,8-9,11-12,21H,1,7,10,13-20H2,2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (MOUSE)	BDBM50068452 (1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-phenyl-prop...) Show SMILES Clc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1Cl Show InChI InChI=1S/C21H26Cl2N2/c22-20-9-8-19(17-21(20)23)10-12-25-15-13-24(14-16-25)11-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,17H,4,7,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from mouse SERT in whole brain membrane				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50068452 (1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-phenyl-prop...) Show SMILES Clc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1Cl Show InChI InChI=1S/C21H26Cl2N2/c22-20-9-8-19(17-21(20)23)10-12-25-15-13-24(14-16-25)11-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,17H,4,7,10-16H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (MOUSE)	BDBM50040266 (CHEMBL3359513) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1O Show InChI InChI=1S/C22H30N2O2/c1-26-22-18-20(9-10-21(22)25)11-13-24-16-14-23(15-17-24)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,18,25H,5,8,11-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of CHO-K1 cells expressing glucocorticoid receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50154006 (17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...) Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:18,25| Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154006 (17-Hydroxy-13-methyl-11-pentyl-1,2,6,7,8,11,12,13,...) Show SMILES CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:18,25| Show InChI InChI=1S/C23H34O2/c1-3-4-5-6-16-14-23(2)20(11-12-21(23)25)19-9-7-15-13-17(24)8-10-18(15)22(16)19/h13,16,19-21,25H,3-12,14H2,1-2H3/t16-,19?,20?,21-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50154003 (11-Dodecyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13...) Show SMILES CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:25,32| Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-23-21-30(2)27(18-19-28(30)32)26-16-14-22-20-24(31)15-17-25(22)29(23)26/h20,23,26-28,32H,3-19,21H2,1-2H3/t23-,26?,27?,28-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50422635 (CHEMBL2311179) Show SMILES C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O |c:4,10| Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15-,16+,17+,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of human androgen receptor expressed in Escherichia coli				J Med Chem 47: 4985-8 (2004) Article DOI: 10.1021/jm0342515 BindingDB Entry DOI: 10.7270/Q2WW7JFR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of lck inase				J Med Chem 47: 6658-61 (2004) Article DOI: 10.1021/jm049486a BindingDB Entry DOI: 10.7270/Q2ZG6RRC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of src kinase				J Med Chem 47: 6658-61 (2004) Article DOI: 10.1021/jm049486a BindingDB Entry DOI: 10.7270/Q2ZG6RRC
					More data for this Ligand-Target Pair

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