Compile Data Set for Download or QSAR

Found 192 hits Enz. Inhib. hit(s) with all data for entry = 50048096   

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))	BDBM50204304 (CHEMBL3954961) Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H31NO/c1-2-12-23-13-11-17-15-21(24)19(14-16-7-4-3-5-8-16)18-9-6-10-20(23)22(17)18/h3-5,7-8,17-20,22H,2,6,9-15H2,1H3/t17-,18+,19+,20+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204312 (CHEMBL3936289) Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204323 (CHEMBL3958393) Show SMILES [H][C@]12CCN(CCCCCCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H37NO/c1-3-5-6-7-8-13-22-14-12-16-15-20(23)17(4-2)18-10-9-11-19(22)21(16)18/h16-19,21H,3-15H2,1-2H3/t16-,17+,18+,19+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204321 (CHEMBL3904569) Show SMILES [H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H31NO2/c1-25-13-12-23-11-10-17-15-21(24)19(14-16-6-3-2-4-7-16)18-8-5-9-20(23)22(17)18/h2-4,6-7,17-20,22H,5,8-15H2,1H3/t17-,18+,19+,20+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204310 (CHEMBL3948140) Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H35NO/c1-17(2)11-13-25-14-12-19-16-23(26)21(15-18-7-4-3-5-8-18)20-9-6-10-22(25)24(19)20/h3-5,7-8,17,19-22,24H,6,9-16H2,1-2H3/t19-,20+,21+,22+,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204320 (CHEMBL3917750) Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C25H37NO2/c1-17(2)11-13-26-14-12-19-16-24(27)22(21-5-4-6-23(26)25(19)21)15-18-7-9-20(28-3)10-8-18/h7-10,17,19,21-23,25H,4-6,11-16H2,1-3H3/t19-,21+,22+,23+,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204308 (CHEMBL3980626) Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H29NOS/c26-23-15-18-11-12-25(16-19-8-5-13-27-19)22-10-4-9-20(24(18)22)21(23)14-17-6-2-1-3-7-17/h1-3,5-8,13,18,20-22,24H,4,9-12,14-16H2/t18-,20+,21+,22+,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204300 (CHEMBL3910552) Show SMILES [H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C23H28N2OS/c26-21-14-17-9-11-25(15-22-24-10-12-27-22)20-8-4-7-18(23(17)20)19(21)13-16-5-2-1-3-6-16/h1-3,5-6,10,12,17-20,23H,4,7-9,11,13-15H2/t17-,18+,19+,20+,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204316 (CHEMBL3945203) Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C26H37NO/c28-25-17-21-14-15-27(18-20-10-5-2-6-11-20)24-13-7-12-22(26(21)24)23(25)16-19-8-3-1-4-9-19/h1,3-4,8-9,20-24,26H,2,5-7,10-18H2/t21-,22+,23+,24+,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204305 (CHEMBL3890935) Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H35NO/c1-2-17-18-9-6-10-19-21(18)16(13-20(17)23)11-12-22(19)14-15-7-4-3-5-8-15/h15-19,21H,2-14H2,1H3/t16-,17+,18+,19+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204326 (CHEMBL3918997) Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H33NO/c1-4-15-16-6-5-7-17-19(16)14(12-18(15)21)9-11-20(17)10-8-13(2)3/h13-17,19H,4-12H2,1-3H3/t14-,15+,16+,17+,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
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	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204307 (CHEMBL3926713) Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H29NO2/c1-22-11-10-15-13-20(23)18(17-4-3-5-19(22)21(15)17)12-14-6-8-16(24-2)9-7-14/h6-9,15,17-19,21H,3-5,10-13H2,1-2H3/t15-,17+,18+,19+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204317 (CHEMBL3946273) Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H27NOS/c1-2-15-16-6-3-7-17-19(16)13(11-18(15)21)8-9-20(17)12-14-5-4-10-22-14/h4-5,10,13,15-17,19H,2-3,6-9,11-12H2,1H3/t13-,15+,16+,17+,19+/m0/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
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204298 (CHEMBL3889737) Show SMILES [H][C@@]12CCN(CCC)[C@]3([H])CCC[C@@]([H])([C@@]13[H])[C@]1(CC)C(C2)=Nc2ccccc12 |r,c:24| Show InChI InChI=1S/C23H32N2/c1-3-13-25-14-12-16-15-21-23(4-2,17-8-5-6-10-19(17)24-21)18-9-7-11-20(25)22(16)18/h5-6,8,10,16,18,20,22H,3-4,7,9,11-15H2,1-2H3/t16-,18-,20+,22+,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204299 (CHEMBL3898676) Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C23H33NO2/c1-3-12-24-13-11-17-15-22(25)20(19-5-4-6-21(24)23(17)19)14-16-7-9-18(26-2)10-8-16/h7-10,17,19-21,23H,3-6,11-15H2,1-2H3/t17-,19+,20+,21+,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204322 (CHEMBL3889749) Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C27H39NO2/c1-30-22-12-10-19(11-13-22)16-24-23-8-5-9-25-27(23)21(17-26(24)29)14-15-28(25)18-20-6-3-2-4-7-20/h10-13,20-21,23-25,27H,2-9,14-18H2,1H3/t21-,23+,24+,25+,27+/m0/s1	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 Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204302 (CHEMBL3908975) Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H29NO/c1-3-9-18-10-8-12-11-16(19)13(4-2)14-6-5-7-15(18)17(12)14/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+,17+/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
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204297 (CHEMBL3918389) Show SMILES [H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H29NO2/c1-3-13-14-5-4-6-15-17(14)12(11-16(13)19)7-8-18(15)9-10-20-2/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204314 (CHEMBL3981067) Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)[C@H](O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H31NO/c1-3-9-18-10-8-12-11-16(19)13(4-2)14-6-5-7-15(18)17(12)14/h12-17,19H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204309 (CHEMBL3970903) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H32N2/c1-3-13-26-14-12-19-20-15-16-8-5-6-10-21(16)25-24(20)17(4-2)18-9-7-11-22(26)23(18)19/h5-6,8,10,15,17-19,22-23H,3-4,7,9,11-14H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204303 (CHEMBL3935644) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(CC(=O)C1)[C@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-2-7-16-8-6-12-10-13(17)9-11-4-3-5-14(16)15(11)12/h11-12,14-15H,2-10H2,1H3/t11-,12+,14-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204325 (CHEMBL3945795) Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-3-11-12-5-4-6-13-15(12)10(9-14(11)17)7-8-16(13)2/h10-13,15H,3-9H2,1-2H3/t10-,11+,12+,13+,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204318 (CHEMBL3959852) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cccc(OC)c5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C25H34N2O/c1-4-13-27-14-12-19-20-15-16-8-6-11-22(28-3)24(16)26-25(20)17(5-2)18-9-7-10-21(27)23(18)19/h6,8,11,15,17-19,21,23H,4-5,7,9-10,12-14H2,1-3H3/t17-,18-,19+,21-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204324 (CHEMBL3952259) Show SMILES [H][C@@]12CCC[C@@]3([H])N(C)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C22H28N2/c1-3-15-16-8-6-10-20-21(16)17(11-12-24(20)2)18-13-14-7-4-5-9-19(14)23-22(15)18/h4-5,7,9,13,15-17,20-21H,3,6,8,10-12H2,1-2H3/t15-,16-,17+,20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204313 (CHEMBL3951093) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cc(Cl)ccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H31ClN2/c1-3-11-27-12-10-19-20-14-15-13-16(25)8-9-21(15)26-24(20)17(4-2)18-6-5-7-22(27)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204305 (CHEMBL3890935) Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H35NO/c1-2-17-18-9-6-10-19-21(18)16(13-20(17)23)11-12-22(19)14-15-7-4-3-5-8-15/h15-19,21H,2-14H2,1H3/t16-,17+,18+,19+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	278	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204311 (CHEMBL3907688) Show SMILES [H][C@@]12CCC[C@]3([H])N(CCC)CC[C@]([H])(CC(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-2-7-16-8-6-12-10-13(17)9-11-4-3-5-14(16)15(11)12/h11-12,14-15H,2-10H2,1H3/t11-,12-,14+,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	345	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204313 (CHEMBL3951093) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cc(Cl)ccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H31ClN2/c1-3-11-27-12-10-19-20-14-15-13-16(25)8-9-21(15)26-24(20)17(4-2)18-6-5-7-22(27)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204301 (CHEMBL3927338) Show SMILES [H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C18H26N2OS/c1-2-13-14-4-3-5-15-18(14)12(10-16(13)21)6-8-20(15)11-17-19-7-9-22-17/h7,9,12-15,18H,2-6,8,10-11H2,1H3/t12-,13+,14+,15+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204306 (CHEMBL3897499) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	416	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204306 (CHEMBL3897499) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	423	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204309 (CHEMBL3970903) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H32N2/c1-3-13-26-14-12-19-20-15-16-8-5-6-10-21(16)25-24(20)17(4-2)18-9-7-11-22(26)23(18)19/h5-6,8,10,15,17-19,22-23H,3-4,7,9,11-14H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	493	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50204323 (CHEMBL3958393) Show SMILES [H][C@]12CCN(CCCCCCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H37NO/c1-3-5-6-7-8-13-22-14-12-16-15-20(23)17(4-2)18-10-9-11-19(22)21(16)18/h16-19,21H,3-15H2,1-2H3/t16-,17+,18+,19+,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	632	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204308 (CHEMBL3980626) Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H29NOS/c26-23-15-18-11-12-25(16-19-8-5-13-27-19)22-10-4-9-20(24(18)22)21(23)14-17-6-2-1-3-7-17/h1-3,5-8,13,18,20-22,24H,4,9-12,14-16H2/t18-,20+,21+,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	638	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50204312 (CHEMBL3936289) Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	661	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity to human M3 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204310 (CHEMBL3948140) Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H35NO/c1-17(2)11-13-25-14-12-19-16-23(26)21(15-18-7-4-3-5-8-18)20-9-6-10-22(25)24(19)20/h3-5,7-8,17,19-22,24H,6,9-16H2,1-2H3/t19-,20+,21+,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	711	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50204319 (CHEMBL3927917) Show SMILES [H][C@]12CCN(C(=O)NCc3ccc(Cl)cc3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H29ClN2O2/c1-2-17-18-4-3-5-19-21(18)15(12-20(17)26)10-11-25(19)22(27)24-13-14-6-8-16(23)9-7-14/h6-9,15,17-19,21H,2-5,10-13H2,1H3,(H,24,27)/t15-,17+,18+,19+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	722	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50204312 (CHEMBL3936289) Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	814	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]alpha-methylhistamine from human H3 receptor expressed in HEK Flp-In cells measured after 90 mins by microbeta scintillation coun...				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50204317 (CHEMBL3946273) Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H27NOS/c1-2-15-16-6-3-7-17-19(16)13(11-18(15)21)8-9-20(17)12-14-5-4-10-22-14/h4-5,10,13,15-17,19H,2-3,6-9,11-12H2,1H3/t13-,15+,16+,17+,19+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	892	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50204306 (CHEMBL3897499) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]Rauwolscine from human Alpha2C receptor expressed in MDCK cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50204306 (CHEMBL3897499) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]Rauwolscine from human Alpha2B receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting metho...				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204316 (CHEMBL3945203) Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C26H37NO/c28-25-17-21-14-15-27(18-20-10-5-2-6-11-20)24-13-7-12-22(26(21)24)23(25)16-19-8-3-1-4-9-19/h1,3-4,8-9,20-24,26H,2,5-7,10-18H2/t21-,22+,23+,24+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204326 (CHEMBL3918997) Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H33NO/c1-4-15-16-6-5-7-17-19(16)14(12-18(15)21)9-11-20(17)10-8-13(2)3/h13-17,19H,4-12H2,1-3H3/t14-,15+,16+,17+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204300 (CHEMBL3910552) Show SMILES [H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C23H28N2OS/c26-21-14-17-9-11-25(15-22-24-10-12-27-22)20-8-4-7-18(23(17)20)19(21)13-16-5-2-1-3-6-16/h1-3,5-6,10,12,17-20,23H,4,7-9,11,13-15H2/t17-,18+,19+,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204317 (CHEMBL3946273) Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H27NOS/c1-2-15-16-6-3-7-17-19(16)13(11-18(15)21)8-9-20(17)12-14-5-4-10-22-14/h4-5,10,13,15-17,19H,2-3,6-9,11-12H2,1H3/t13-,15+,16+,17+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50204306 (CHEMBL3897499) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]Rauwolscine from human Alpha2A receptor expressed in MDCK cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204322 (CHEMBL3889749) Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C27H39NO2/c1-30-22-12-10-19(11-13-22)16-24-23-8-5-9-25-27(23)21(17-26(24)29)14-15-28(25)18-20-6-3-2-4-7-20/h10-13,20-21,23-25,27H,2-9,14-18H2,1H3/t21-,23+,24+,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50204312 (CHEMBL3936289) Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]Mesulergine from human 5-HT2C receptor expressed in Flp-IN HEK cells measured after 90 mins by microbeta scintillation counting m...				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50204318 (CHEMBL3959852) Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cccc(OC)c5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C25H34N2O/c1-4-13-27-14-12-19-20-15-16-8-6-11-22(28-3)24(16)26-25(20)17(5-2)18-9-7-10-21(27)23(18)19/h6,8,11,15,17-19,21,23H,4-5,7,9-10,12-14H2,1-3H3/t17-,18-,19+,21-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair

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