Compile Data Set for Download or QSAR

Found 3499 hits with Last Name = 'xu' and Initial = 't'   

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 (RAT)	BDBM50374600 (CHEMBL272899) Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50536985 (CHEMBL4531345) Show SMILES CCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C24H31FN4O/c1-2-13-28-22-7-3-4-8-23(22)29(24(28)30)15-6-5-14-26-16-18-27(19-17-26)21-11-9-20(25)10-12-21/h3-4,7-12H,2,5-6,13-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 mins in presence of (+)-pentazocine by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019 BindingDB Entry DOI: 10.7270/Q2PG1W8C
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516569 (CHEMBL4585198 | US10899738, Cpd. No 148) Show SMILES CCN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 Show InChI InChI=1S/C36H46N4O2S/c1-2-38-26-29-7-3-6-10-35(29)36(27-38,30-8-4-5-9-30)31-17-21-39(22-18-31)23-28-24-40(25-28)32-11-13-33(14-12-32)43(41,42)34-15-19-37-20-16-34/h3,6-7,10-16,19-20,28,30-31H,2,4-5,8-9,17-18,21-27H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516582 (CHEMBL4449381) Show SMILES [H][C@@]1(CCC[C@@H]1OC(=O)NC)[C@@]1(CN(C)Cc2ccccc12)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 |r| Show InChI InChI=1S/C37H47N5O4S/c1-38-36(43)46-35-9-5-8-34(35)37(26-40(2)25-28-6-3-4-7-33(28)37)29-16-20-41(21-17-29)22-27-23-42(24-27)30-10-12-31(13-11-30)47(44,45)32-14-18-39-19-15-32/h3-4,6-7,10-15,18-19,27,29,34-35H,5,8-9,16-17,20-26H2,1-2H3,(H,38,43)/t34-,35-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374598 (CHEMBL272603 | US9604926, Compound CM-156 | US9724...) Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516570 (CHEMBL4551865 | US10899738, Cpd. No 48) Show SMILES CC(C)N1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 Show InChI InChI=1S/C37H48N4O2S/c1-28(2)41-26-30-7-3-6-10-36(30)37(27-41,31-8-4-5-9-31)32-17-21-39(22-18-32)23-29-24-40(25-29)33-11-13-34(14-12-33)44(42,43)35-15-19-38-20-16-35/h3,6-7,10-16,19-20,28-29,31-32H,4-5,8-9,17-18,21-27H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516571 (CHEMBL4592636 | US10899738, Cpd. No 50) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CC3CC3)Cc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O2S/c43-45(44,36-15-19-39-20-16-36)35-13-11-34(12-14-35)42-25-30(26-42)24-40-21-17-33(18-22-40)38(32-6-2-3-7-32)28-41(23-29-9-10-29)27-31-5-1-4-8-37(31)38/h1,4-5,8,11-16,19-20,29-30,32-33H,2-3,6-7,9-10,17-18,21-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516567 (CHEMBL4449199 | US10899738, Cpd. No 51) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CNCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C34H42N4O2S/c39-41(40,32-13-17-35-18-14-32)31-11-9-30(10-12-31)38-23-26(24-38)22-37-19-15-29(16-20-37)34(28-6-2-3-7-28)25-36-21-27-5-1-4-8-33(27)34/h1,4-5,8-14,17-18,26,28-29,36H,2-3,6-7,15-16,19-25H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50536979 (CHEMBL4542088) Show SMILES CCCn1c2cc(ccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)C(C)=O Show InChI InChI=1S/C26H33FN4O2/c1-3-12-30-25-19-21(20(2)32)6-11-24(25)31(26(30)33)14-5-4-13-28-15-17-29(18-16-28)23-9-7-22(27)8-10-23/h6-11,19H,3-5,12-18H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 mins in presence of (+)-pentazocine by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019 BindingDB Entry DOI: 10.7270/Q2PG1W8C
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516568 (CHEMBL4516680) Show SMILES CN1Cc2ccccc2C(C1)(C1CCCC1)C1CCN(CC2CN(C2)c2ccc(cc2)S(=O)(=O)c2ccncc2)CC1 Show InChI InChI=1S/C35H44N4O2S/c1-37-25-28-6-2-5-9-34(28)35(26-37,29-7-3-4-8-29)30-16-20-38(21-17-30)22-27-23-39(24-27)31-10-12-32(13-11-31)42(40,41)33-14-18-36-19-15-33/h2,5-6,9-15,18-19,27,29-30H,3-4,7-8,16-17,20-26H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516554 (CHEMBL4522767 | US10899738, Cpd. No 49) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(Cc3ccccc23)C2CCC2)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O2S/c43-45(44,36-16-20-39-21-17-36)35-14-12-34(13-15-35)41-25-29(26-41)24-40-22-18-32(19-23-40)38(31-7-2-3-8-31)28-42(33-9-5-10-33)27-30-6-1-4-11-37(30)38/h1,4,6,11-17,20-21,29,31-33H,2-3,5,7-10,18-19,22-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM312202 (US9604926, Compound CM-397 | US9724435, Compound C...) Show SMILES Cn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C22H27FN4O/c1-24-20-6-2-3-7-21(20)27(22(24)28)13-5-4-12-25-14-16-26(17-15-25)19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 mins in presence of (+)-pentazocine by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019 BindingDB Entry DOI: 10.7270/Q2PG1W8C
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50536983 (CHEMBL4537047) Show SMILES CCCCCn1c2cc(ccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)C(C)=O Show InChI InChI=1S/C28H37FN4O2/c1-3-4-5-15-33-27-21-23(22(2)34)8-13-26(27)32(28(33)35)16-7-6-14-30-17-19-31(20-18-30)25-11-9-24(29)10-12-25/h8-13,21H,3-7,14-20H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 mins in presence of (+)-pentazocine by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019 BindingDB Entry DOI: 10.7270/Q2PG1W8C
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516565 (CHEMBL4578509 | US10899738, Cpd. No 92) Show SMILES O=S(=O)(C1CCCCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C35H49N3O2S/c39-41(40,32-11-2-1-3-12-32)33-16-14-31(15-17-33)38-25-27(26-38)24-37-22-19-30(20-23-37)35(29-9-5-6-10-29)34-13-7-4-8-28(34)18-21-36-35/h4,7-8,13-17,27,29-30,32,36H,1-3,5-6,9-12,18-26H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM312201 (US9604926, Compound CM-396 | US9724435, Compound C...) Show SMILES Cn1c2ccccc2n(CCCCN2CCN(CC2)C2CCCCC2)c1=O Show InChI InChI=1S/C22H34N4O/c1-23-20-11-5-6-12-21(20)26(22(23)27)14-8-7-13-24-15-17-25(18-16-24)19-9-3-2-4-10-19/h5-6,11-12,19H,2-4,7-10,13-18H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 mins in presence of (+)-pentazocine by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019 BindingDB Entry DOI: 10.7270/Q2PG1W8C
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516581 (CHEMBL4458829) Show SMILES [H][C@@]1(CCC[C@@H]1OC(=O)NC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C31H37N5O2/c1-34-30(37)38-29-9-5-8-28(29)31(22-33,25-6-3-2-4-7-25)26-14-16-35(17-15-26)19-24-20-36(21-24)27-12-10-23(18-32)11-13-27/h2-4,6-7,10-13,24,26,28-29H,5,8-9,14-17,19-21H2,1H3,(H,34,37)/t28-,29-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516574 (CHEMBL4444304 | US10899738, Cpd. No 54) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CCN3CCOCC3)Cc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C40H53N5O3S/c46-49(47,38-13-17-41-18-14-38)37-11-9-36(10-12-37)45-28-32(29-45)27-43-19-15-35(16-20-43)40(34-6-2-3-7-34)31-44(22-21-42-23-25-48-26-24-42)30-33-5-1-4-8-39(33)40/h1,4-5,8-14,17-18,32,34-35H,2-3,6-7,15-16,19-31H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	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	3.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374601 (CHEMBL408003 | US9604926, Compound CM-135 | US9724...) Show SMILES C(CCN1CCN(CC1)C1CCCCC1)CSc1nc2ccccc2o1 Show InChI InChI=1S/C21H31N3OS/c1-2-8-18(9-3-1)24-15-13-23(14-16-24)12-6-7-17-26-21-22-19-10-4-5-11-20(19)25-21/h4-5,10-11,18H,1-3,6-9,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	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	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain membranes after 120 mins by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019 BindingDB Entry DOI: 10.7270/Q2PG1W8C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353844 (CHEMBL270341 | US9604926, Compound CM-145 | US9724...) Show SMILES O=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3OS/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50536981 (CHEMBL4577544) Show SMILES CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C26H35FN4O/c1-2-3-6-16-30-24-9-4-5-10-25(24)31(26(30)32)17-8-7-15-28-18-20-29(21-19-28)23-13-11-22(27)12-14-23/h4-5,9-14H,2-3,6-8,15-21H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 mins in presence of (+)-pentazocine by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019 BindingDB Entry DOI: 10.7270/Q2PG1W8C
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516564 (CHEMBL4459554 | US10899738, Cpd. No 146) Show SMILES O=S(=O)(C1CCCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C34H47N3O2S/c38-40(39,31-10-4-5-11-31)32-15-13-30(14-16-32)37-24-26(25-37)23-36-21-18-29(19-22-36)34(28-8-2-3-9-28)33-12-6-1-7-27(33)17-20-35-34/h1,6-7,12-16,26,28-29,31,35H,2-5,8-11,17-25H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374603 (CHEMBL272610 | US9604926, Compound SN-48 | US97244...) Show SMILES O=c1oc2ccccc2n1CCCCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C23H35N3O2/c27-23-26(21-12-6-7-13-22(21)28-23)15-9-2-1-8-14-24-16-18-25(19-17-24)20-10-4-3-5-11-20/h6-7,12-13,20H,1-5,8-11,14-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50536984 (CHEMBL4589807) Show SMILES CCCCCCCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C31H45FN4O/c1-2-3-4-5-6-7-8-11-21-35-29-14-9-10-15-30(29)36(31(35)37)22-13-12-20-33-23-25-34(26-24-33)28-18-16-27(32)17-19-28/h9-10,14-19H,2-8,11-13,20-26H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 mins in presence of (+)-pentazocine by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019 BindingDB Entry DOI: 10.7270/Q2PG1W8C
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516553 (CHEMBL4476073 | US10899738, Cpd. No 151) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C34H42N4O2S/c39-41(40,32-14-18-35-19-15-32)31-11-9-30(10-12-31)38-24-26(25-38)23-37-21-16-29(17-22-37)34(28-6-2-3-7-28)33-8-4-1-5-27(33)13-20-36-34/h1,4-5,8-12,14-15,18-19,26,28-29,36H,2-3,6-7,13,16-17,20-25H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374607 (CHEMBL271975 | US9604926, Compound SN-97 | US97244...) Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374595 (CHEMBL272854 | US9604926, Compound CM-372 | US9724...) Show SMILES S=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3OS/c26-21-24(19-10-4-5-11-20(19)25-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374596 (CHEMBL406081 | US9724435, Compound SN-99) Show SMILES O=c1sc2ccccc2n1CCCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C22H33N3OS/c26-22-25(20-11-5-6-12-21(20)27-22)14-8-2-7-13-23-15-17-24(18-16-23)19-9-3-1-4-10-19/h5-6,11-12,19H,1-4,7-10,13-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374606 (CHEMBL405925 | US9604926, Compound CM-124 | US9724...) Show SMILES O=c1oc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C20H29N3O2/c24-20-23(18-9-4-5-10-19(18)25-20)12-6-11-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h4-5,9-10,17H,1-3,6-8,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516566 (CHEMBL4436641 | US10899738, Cpd. No 149) Show SMILES O=S(=O)(c1ccccc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C35H43N3O2S/c39-41(40,32-11-2-1-3-12-32)33-16-14-31(15-17-33)38-25-27(26-38)24-37-22-19-30(20-23-37)35(29-9-5-6-10-29)34-13-7-4-8-28(34)18-21-36-35/h1-4,7-8,11-17,27,29-30,36H,5-6,9-10,18-26H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374605 (CHEMBL273084 | US9604926, Compound SN-99 | US97244...) Show SMILES O=c1sc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C20H29N3OS/c24-20-23(18-9-4-5-10-19(18)25-20)12-6-11-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h4-5,9-10,17H,1-3,6-8,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374602 (CHEMBL272608 | US9604926, Compound SN-102 | US9724...) Show SMILES O=c1sc2ccccc2n1CCCCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C23H35N3OS/c27-23-26(21-12-6-7-13-22(21)28-23)15-9-2-1-8-14-24-16-18-25(19-17-24)20-10-4-3-5-11-20/h6-7,12-13,20H,1-5,8-11,14-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374599 (CHEMBL269876 | US9604926, Compound CM-129 | US9724...) Show SMILES O=c1oc2ccccc2n1CCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C19H27N3O2/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516549 (CHEMBL4470192 | US10899738, Cpd. No 135) Show SMILES O=S(=O)(C1CC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H43N3O2S/c36-38(37,30-13-14-30)29-11-9-28(10-12-29)35-22-24(23-35)21-34-19-16-27(17-20-34)32(26-6-2-3-7-26)31-8-4-1-5-25(31)15-18-33-32/h1,4-5,8-12,24,26-27,30,33H,2-3,6-7,13-23H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516572 (CHEMBL4532417 | US10899738, Cpd. No 52) Show SMILES O=S(=O)(c1ccncc1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(CN(CC3COC3)Cc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C38H48N4O3S/c43-46(44,36-13-17-39-18-14-36)35-11-9-34(10-12-35)42-23-29(24-42)21-40-19-15-33(16-20-40)38(32-6-2-3-7-32)28-41(22-30-26-45-27-30)25-31-5-1-4-8-37(31)38/h1,4-5,8-14,17-18,29-30,32-33H,2-3,6-7,15-16,19-28H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50536986 (CHEMBL4580186) Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)n(C)c2c1 Show InChI InChI=1S/C24H29FN4O2/c1-18(30)19-5-10-22-23(17-19)26(2)24(31)29(22)12-4-3-11-27-13-15-28(16-14-27)21-8-6-20(25)7-9-21/h5-10,17H,3-4,11-16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 mins in presence of (+)-pentazocine by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019 BindingDB Entry DOI: 10.7270/Q2PG1W8C
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516583 (CHEMBL4568235) Show SMILES [H][C@@]1(CCC[C@@H]1NC(=O)OC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C31H37N5O2/c1-38-30(37)34-29-9-5-8-28(29)31(22-33,25-6-3-2-4-7-25)26-14-16-35(17-15-26)19-24-20-36(21-24)27-12-10-23(18-32)11-13-27/h2-4,6-7,10-13,24,26,28-29H,5,8-9,14-17,19-21H2,1H3,(H,34,37)/t28-,29-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516579 (CHEMBL4452253) Show SMILES [H][C@@]1(CCC[C@@H]1OC(=O)CC)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H38N4O2/c1-2-31(37)38-30-10-6-9-29(30)32(23-34,26-7-4-3-5-8-26)27-15-17-35(18-16-27)20-25-21-36(22-25)28-13-11-24(19-33)12-14-28/h3-5,7-8,11-14,25,27,29-30H,2,6,9-10,15-18,20-22H2,1H3/t29-,30-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516561 (CHEMBL4460234 | US10899738, Cpd. No 133) Show SMILES CCS(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C31H43N3O2S/c1-2-37(35,36)29-13-11-28(12-14-29)34-22-24(23-34)21-33-19-16-27(17-20-33)31(26-8-4-5-9-26)30-10-6-3-7-25(30)15-18-32-31/h3,6-7,10-14,24,26-27,32H,2,4-5,8-9,15-23H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374604 (CHEMBL406082 | US9604926, Compound CM-126 | US9724...) Show SMILES O=c1oc2ccccc2n1CCCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C22H33N3O2/c26-22-25(20-11-5-6-12-21(20)27-22)14-8-2-7-13-23-15-17-24(18-16-23)19-9-3-1-4-10-19/h5-6,11-12,19H,1-4,7-10,13-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516559 (CHEMBL4446177 | US10899738, Cpd. No 129) Show SMILES N#Cc1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C30H38N4/c31-19-23-9-11-28(12-10-23)34-21-24(22-34)20-33-17-14-27(15-18-33)30(26-6-2-3-7-26)29-8-4-1-5-25(29)13-16-32-30/h1,4-5,8-12,24,26-27,32H,2-3,6-7,13-18,20-22H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516563 (CHEMBL4581439 | US10899738, Cpd. No 85) Show SMILES O=S(=O)(C1CCC1)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C33H45N3O2S/c37-39(38,30-9-5-10-30)31-14-12-29(13-15-31)36-23-25(24-36)22-35-20-17-28(18-21-35)33(27-7-2-3-8-27)32-11-4-1-6-26(32)16-19-34-33/h1,4,6,11-15,25,27-28,30,34H,2-3,5,7-10,16-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374597 (CHEMBL271772 | US9604926, Compound CM-121 | US9724...) Show SMILES O=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3O2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516578 (CHEMBL4453006) Show SMILES [H][C@@]1(CCC[C@@H]1OC(C)=O)[C@@](C#N)(C1CCN(CC2CN(C2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r| Show InChI InChI=1S/C31H36N4O2/c1-23(36)37-30-9-5-8-29(30)31(22-33,26-6-3-2-4-7-26)27-14-16-34(17-15-27)19-25-20-35(21-25)28-12-10-24(18-32)11-13-28/h2-4,6-7,10-13,25,27,29-30H,5,8-9,14-17,19-21H2,1H3/t29-,30-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM312218 (US9604926, Compound CM-728 | US9724435, Compound C...) Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3[nH]c2=O)CC1 Show InChI InChI=1S/C21H25FN4O/c22-17-7-9-18(10-8-17)25-15-13-24(14-16-25)11-3-4-12-26-20-6-2-1-5-19(20)23-21(26)27/h1-2,5-10H,3-4,11-16H2,(H,23,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 mins in presence of (+)-pentazocine by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019 BindingDB Entry DOI: 10.7270/Q2PG1W8C
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516562 (CHEMBL4467100 | US10899738, Cpd. No 134) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)N1CC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C32H45N3O2S/c1-24(2)38(36,37)30-13-11-29(12-14-30)35-22-25(23-35)21-34-19-16-28(17-20-34)32(27-8-4-5-9-27)31-10-6-3-7-26(31)15-18-33-32/h3,6-7,10-14,24-25,27-28,33H,4-5,8-9,15-23H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516547 (CHEMBL4448045 | US10899738, Cpd. No 27) Show SMILES N#Cc1ccc(OCCCN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)cc1 Show InChI InChI=1S/C29H37N3O/c30-22-23-10-12-27(13-11-23)33-21-5-18-32-19-15-26(16-20-32)29(25-7-2-3-8-25)28-9-4-1-6-24(28)14-17-31-29/h1,4,6,9-13,25-26,31H,2-3,5,7-8,14-21H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair
Menin (Homo sapiens (Human))	BDBM50516548 (CHEMBL4466955 | US10899738, Cpd. No 113) Show SMILES N#Cc1ccc(cc1)N1CCC(CN2CCC(CC2)C2(NCCc3ccccc23)C2CCCC2)C1 Show InChI InChI=1S/C31H40N4/c32-21-24-9-11-29(12-10-24)35-20-14-25(23-35)22-34-18-15-28(16-19-34)31(27-6-2-3-7-27)30-8-4-1-5-26(30)13-17-33-31/h1,4-5,8-12,25,27-28,33H,2-3,6-7,13-20,22-23H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay				J Med Chem 62: 6015-6034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00021 BindingDB Entry DOI: 10.7270/Q2P84G8G
					More data for this Ligand-Target Pair

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