BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 943 hits with Last Name = 'schiltz' and Initial = 'ge'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Polycomb protein EED


(Homo sapiens (Human))		BDBM50235631
PNG
(CHEMBL4060827)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)C1CCc2cccc(F)c12 |r|
Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25?,26+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 0.290n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to EED (unknown origin) by TR-FRET based binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50241662
PNG
(CHEMBL4104741)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r|
Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.310n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of OG(488) labeled probe from GST-tagged EED (unknown origin) incubated for 1 hr by lanthaScreen TR-FRET method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50562606
PNG
(CHEMBL4792256)
Show SMILES CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(cc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLAG-tagged EZH2 using H3K27me as substrate in presence of [3H]-SAM incubated for 30 mins by Cheng-Prusoff analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50034090
PNG
(CHEMBL3359239)
Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H23Cl2N3O/c1-14-17(21)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(20)9-7-15/h6-9H,2-5,10-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.10n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50035131
PNG
((+)-(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

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
 3.10n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50400738
PNG
(CHEMBL2203551)
Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.10n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM21398
PNG
(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

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))		BDBM50562608
PNG
(CHEMBL4795893)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)C1CCc2cccc(F)c12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to EED (unknown origin) by TR-FRET based binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM223985
PNG
(rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r|
Show InChI InChI=1S/C23H28FN3/c1-16-8-7-10-21(24)18(16)13-27-14-20(23(15-27)25(2)3)19-12-26(4)22-11-6-5-9-17(19)22/h5-12,20,23H,13-15H2,1-4H3/t20-,23+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to EED (unknown origin) by TR-FRET based binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50009307
PNG
(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

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 15n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523851
PNG
(CHEMBL4445781)
Show SMILES Fc1ccc(CNC2CCc3nn(c(C(=O)N4CCCCC4)c3C2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H28F2N4O/c27-19-6-4-18(5-7-19)17-29-21-10-13-24-23(16-21)25(26(33)31-14-2-1-3-15-31)32(30-24)22-11-8-20(28)9-12-22/h4-9,11-12,21,29H,1-3,10,13-17H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 16n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50396352
PNG
(CHEMBL2170062)
Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
 17n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523851
PNG
(CHEMBL4445781)
Show SMILES Fc1ccc(CNC2CCc3nn(c(C(=O)N4CCCCC4)c3C2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H28F2N4O/c27-19-6-4-18(5-7-19)17-29-21-10-13-24-23(16-21)25(26(33)31-14-2-1-3-15-31)32(30-24)22-11-8-20(28)9-12-22/h4-9,11-12,21,29H,1-3,10,13-17H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 17n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50075051
PNG
(CHEMBL3360855 | EPZ005687 | US10273223, Compound C...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)-c2ccc(CN3CCOCC3)cc2)c(=O)[nH]1
Show InChI InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of wild type EZH2 in human PRC2 complex using S-adenosylmethionine as substrate by Michaelis-Menten plot analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50431031
PNG
(CHEMBL2338343)
Show SMILES CC(C)CCOc1ccc2N[C@H](C3CCOCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
Show InChI InChI=1S/C22H33NO3/c1-15(2)7-13-25-17-5-6-20-19(14-17)22-18(4-3-10-26-22)21(23-20)16-8-11-24-12-9-16/h5-6,14-16,18,21-23H,3-4,7-13H2,1-2H3/t18-,21+,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 30n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523848
PNG
(CHEMBL4457581)
Show SMILES Fc1ccc(CNC2CCc3nn(c(C(=O)N4CCCCC4)c3C2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H29FN4O/c27-20-11-9-19(10-12-20)18-28-21-13-14-24-23(17-21)25(26(32)30-15-5-2-6-16-30)31(29-24)22-7-3-1-4-8-22/h1,3-4,7-12,21,28H,2,5-6,13-18H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 32n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50523839
PNG
(CHEMBL4570746)
Show SMILES O=C(N1CCCCC1)c1c2CC(CCc2nn1-c1ccccc1)NCCc1ccc2OCOc2c1
Show InChI InChI=1S/C28H32N4O3/c33-28(31-15-5-2-6-16-31)27-23-18-21(10-11-24(23)30-32(27)22-7-3-1-4-8-22)29-14-13-20-9-12-25-26(17-20)35-19-34-25/h1,3-4,7-9,12,17,21,29H,2,5-6,10-11,13-16,18-19H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 32n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillatio...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523849
PNG
(CHEMBL4548328)
Show SMILES O=C(N1CCCCC1)c1c2CC(CCc2nn1-c1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C26H30N4O/c31-26(29-16-8-3-9-17-29)25-23-18-21(27-19-20-10-4-1-5-11-20)14-15-24(23)28-30(25)22-12-6-2-7-13-22/h1-2,4-7,10-13,21,27H,3,8-9,14-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 40n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50077890
PNG
(CHEMBL3417063 | US9611229, 7)
Show SMILES Clc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl
Show InChI InChI=1S/C15H19Cl2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 61n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523839
PNG
(CHEMBL4570746)
Show SMILES O=C(N1CCCCC1)c1c2CC(CCc2nn1-c1ccccc1)NCCc1ccc2OCOc2c1
Show InChI InChI=1S/C28H32N4O3/c33-28(31-15-5-2-6-16-31)27-23-18-21(10-11-24(23)30-32(27)22-7-3-1-4-8-22)29-14-13-20-9-12-25-26(17-20)35-19-34-25/h1,3-4,7-9,12,17,21,29H,2,5-6,10-11,13-16,18-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 63n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM326072
PNG
(US10273223, Compound C-5 | US9637472, Compound C-5)
Show SMILES CC(C)n1ncc2c(cc(cc12)-c1ccc(CN2CCOCC2)cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C30H35N5O3/c1-19(2)35-28-15-24(23-7-5-22(6-8-23)18-34-9-11-38-12-10-34)14-25(27(28)17-32-35)29(36)31-16-26-20(3)13-21(4)33-30(26)37/h5-8,13-15,17,19H,9-12,16,18H2,1-4H3,(H,31,36)(H,33,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EZH2 in human PRC2 complex using S-adenosylmethionine and biotinylated histone peptides as substrate

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523850
PNG
(CHEMBL4469217)
Show SMILES Fc1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccncc1
Show InChI InChI=1S/C26H30FN5O/c27-20-4-7-22(8-5-20)32-25(26(33)31-16-2-1-3-17-31)23-18-21(6-9-24(23)30-32)29-15-12-19-10-13-28-14-11-19/h4-5,7-8,10-11,13-14,21,29H,1-3,6,9,12,15-18H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 100n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50523846
PNG
(CHEMBL4556150)
Show SMILES Fc1ccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31FN4O/c28-21-11-9-20(10-12-21)15-16-29-22-13-14-25-24(19-22)26(27(33)31-17-5-2-6-18-31)30-32(25)23-7-3-1-4-8-23/h1,3-4,7-12,22,29H,2,5-6,13-19H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 100n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillatio...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523846
PNG
(CHEMBL4556150)
Show SMILES Fc1ccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31FN4O/c28-21-11-9-20(10-12-21)15-16-29-22-13-14-25-24(19-22)26(27(33)31-17-5-2-6-18-31)30-32(25)23-7-3-1-4-8-23/h1,3-4,7-12,22,29H,2,5-6,13-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 126n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50523849
PNG
(CHEMBL4548328)
Show SMILES O=C(N1CCCCC1)c1c2CC(CCc2nn1-c1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C26H30N4O/c31-26(29-16-8-3-9-17-29)25-23-18-21(27-19-20-10-4-1-5-11-20)14-15-24(23)28-30(25)22-12-6-2-7-13-22/h1-2,4-7,10-13,21,27H,3,8-9,14-19H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 126n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillatio...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523840
PNG
(CHEMBL4587515)
Show SMILES Fc1ccc(CNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C26H29FN4O/c27-20-11-9-19(10-12-20)18-28-21-13-14-24-23(17-21)25(26(32)30-15-5-2-6-16-30)29-31(24)22-7-3-1-4-8-22/h1,3-4,7-12,21,28H,2,5-6,13-18H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 158n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50523848
PNG
(CHEMBL4457581)
Show SMILES Fc1ccc(CNC2CCc3nn(c(C(=O)N4CCCCC4)c3C2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H29FN4O/c27-20-11-9-19(10-12-20)18-28-21-13-14-24-23(17-21)25(26(32)30-15-5-2-6-16-30)31(29-24)22-7-3-1-4-8-22/h1,3-4,7-12,21,28H,2,5-6,13-18H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 158n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillatio...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM190179
PNG
(EPZ005030 | US10273223, Compound A-2 | US9175331, ...)
Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc(CN2CCOCC2)cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C29H34N6O3/c1-18(2)35-27-25(16-31-35)23(28(36)30-15-24-19(3)13-20(4)32-29(24)37)14-26(33-27)22-7-5-21(6-8-22)17-34-9-11-38-12-10-34/h5-8,13-14,16,18H,9-12,15,17H2,1-4H3,(H,30,36)(H,32,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 180n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EZH2 in human PRC2 complex using S-adenosylmethionine and biotinylated histone peptides as substrate

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523858
PNG
(CHEMBL4564028)
Show SMILES FC(F)(F)c1ccc(CCNC2CCc3nn(c(C(=O)N4CCCCC4)c3C2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H31F3N4O/c29-28(30,31)21-11-9-20(10-12-21)15-16-32-22-13-14-25-24(19-22)26(27(36)34-17-5-2-6-18-34)35(33-25)23-7-3-1-4-8-23/h1,3-4,7-12,22,32H,2,5-6,13-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 200n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523847
PNG
(CHEMBL4476021)
Show SMILES Oc1cccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C27H32N4O2/c32-23-11-7-8-20(18-23)14-15-28-21-12-13-25-24(19-21)26(27(33)30-16-5-2-6-17-30)29-31(25)22-9-3-1-4-10-22/h1,3-4,7-11,18,21,28,32H,2,5-6,12-17,19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 200n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523857
PNG
(CHEMBL4475785)
Show SMILES Fc1ccc(CNC2CCc3c(C2)c(nn3Cc2ccccc2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31FN4O/c28-22-11-9-20(10-12-22)18-29-23-13-14-25-24(17-23)26(27(33)31-15-5-2-6-16-31)30-32(25)19-21-7-3-1-4-8-21/h1,3-4,7-12,23,29H,2,5-6,13-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 251n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523856
PNG
(CHEMBL4513571)
Show SMILES O=C(N1CCCCC1)c1nn(Cc2ccccc2)c2CCC(Cc12)NCCc1ccncc1
Show InChI InChI=1S/C27H33N5O/c33-27(31-17-5-2-6-18-31)26-24-19-23(29-16-13-21-11-14-28-15-12-21)9-10-25(24)32(30-26)20-22-7-3-1-4-8-22/h1,3-4,7-8,11-12,14-15,23,29H,2,5-6,9-10,13,16-20H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 251n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50523850
PNG
(CHEMBL4469217)
Show SMILES Fc1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccncc1
Show InChI InChI=1S/C26H30FN5O/c27-20-4-7-22(8-5-20)32-25(26(33)31-16-2-1-3-17-31)23-18-21(6-9-24(23)30-32)29-15-12-19-10-13-28-14-11-19/h4-5,7-8,10-11,13-14,21,29H,1-3,6,9,12,15-18H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 251n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillatio...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50523844
PNG
(CHEMBL4545459)
Show SMILES CCCn1nc(C(=O)N2CCCCC2)c2CC(CCc12)NCCc1ccc(O)cc1
Show InChI InChI=1S/C24H34N4O2/c1-2-14-28-22-11-8-19(25-13-12-18-6-9-20(29)10-7-18)17-21(22)23(26-28)24(30)27-15-4-3-5-16-27/h6-7,9-10,19,25,29H,2-5,8,11-17H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 251n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillatio...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50523852
PNG
(CHEMBL4550537)
Show SMILES Oc1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccccc1
Show InChI InChI=1S/C27H32N4O2/c32-23-12-10-22(11-13-23)31-26(27(33)30-17-5-2-6-18-30)24-19-21(9-14-25(24)29-31)28-16-15-20-7-3-1-4-8-20/h1,3-4,7-8,10-13,21,28,32H,2,5-6,9,14-19H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 251n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillatio...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50075053
PNG
(CHEMBL3414618)
Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc2OCCOc2c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C26H27N5O4/c1-14(2)31-24-20(13-28-31)18(25(32)27-12-19-15(3)9-16(4)29-26(19)33)11-21(30-24)17-5-6-22-23(10-17)35-8-7-34-22/h5-6,9-11,13-14H,7-8,12H2,1-4H3,(H,27,32)(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 310n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EZH2 in human PRC2 complex using S-adenosylmethionine and biotinylated histone peptides as substrate

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523855
PNG
(CHEMBL4461869)
Show SMILES FC(F)(F)c1ccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C28H31F3N4O/c29-28(30,31)21-11-9-20(10-12-21)15-16-32-22-13-14-25-24(19-22)26(27(36)34-17-5-2-6-18-34)33-35(25)23-7-3-1-4-8-23/h1,3-4,7-12,22,32H,2,5-6,13-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 316n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523852
PNG
(CHEMBL4550537)
Show SMILES Oc1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccccc1
Show InChI InChI=1S/C27H32N4O2/c32-23-12-10-22(11-13-23)31-26(27(33)30-17-5-2-6-18-30)24-19-21(9-14-25(24)29-31)28-16-15-20-7-3-1-4-8-20/h1,3-4,7-8,10-13,21,28,32H,2,5-6,9,14-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 316n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50523845
PNG
(CHEMBL4544989)
Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C28H32N4O3/c33-28(31-15-5-2-6-16-31)27-23-18-21(10-11-24(23)32(30-27)22-7-3-1-4-8-22)29-14-13-20-9-12-25-26(17-20)35-19-34-25/h1,3-4,7-9,12,17,21,29H,2,5-6,10-11,13-16,18-19H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 316n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillatio...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50235637
PNG
(CHEMBL4103354)
Show SMILES CN(C)[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r|
Show InChI InChI=1S/C22H26FN3/c1-24(2)22-15-26(12-16-8-4-6-10-20(16)23)14-19(22)18-13-25(3)21-11-7-5-9-17(18)21/h4-11,13,19,22H,12,14-15H2,1-3H3/t19-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 330n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to EED (unknown origin) by TR-FRET based binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50523841
PNG
(CHEMBL4562667)
Show SMILES CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H30N4O3/c1-4-11-26-18-7-6-16(13-17(18)21(24-26)22(27)25(2)3)23-10-9-15-5-8-19-20(12-15)29-14-28-19/h5,8,12,16,23H,4,6-7,9-11,13-14H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 398n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillatio...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523841
PNG
(CHEMBL4562667)
Show SMILES CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H30N4O3/c1-4-11-26-18-7-6-16(13-17(18)21(24-26)22(27)25(2)3)23-10-9-15-5-8-19-20(12-15)29-14-28-19/h5,8,12,16,23H,4,6-7,9-11,13-14H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 501n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50523860
PNG
(CHEMBL4589939)
Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H30N4O/c31-26(29-16-8-3-9-17-29)25-23-18-21(27-19-20-10-4-1-5-11-20)14-15-24(23)30(28-25)22-12-6-2-7-13-22/h1-2,4-7,10-13,21,27H,3,8-9,14-19H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 501n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillatio...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523845
PNG
(CHEMBL4544989)
Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C28H32N4O3/c33-28(31-15-5-2-6-16-31)27-23-18-21(10-11-24(23)32(30-27)22-7-3-1-4-8-22)29-14-13-20-9-12-25-26(17-20)35-19-34-25/h1,3-4,7-9,12,17,21,29H,2,5-6,10-11,13-16,18-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 501n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM223984
PNG
(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Show SMILES COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(C)c2ccccc12)N(C)C |r|
Show InChI InChI=1S/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to EED (unknown origin) by TR-FRET based binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523842
PNG
(CHEMBL4539118)
Show SMILES NC(=O)c1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccccc1
Show InChI InChI=1S/C28H33N5O2/c29-27(34)21-9-12-23(13-10-21)33-26(28(35)32-17-5-2-6-18-32)24-19-22(11-14-25(24)31-33)30-16-15-20-7-3-1-4-8-20/h1,3-4,7-10,12-13,22,30H,2,5-6,11,14-19H2,(H2,29,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 631n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM50523862
PNG
(CHEMBL4540551)
Show SMILES CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H29F3N4O/c1-4-13-29-19-10-9-17(14-18(19)20(27-29)21(30)28(2)3)26-12-11-15-5-7-16(8-6-15)22(23,24)25/h5-8,17,26H,4,9-14H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 631n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillatio...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523860
PNG
(CHEMBL4589939)
Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H30N4O/c31-26(29-16-8-3-9-17-29)25-23-18-21(27-19-20-10-4-1-5-11-20)14-15-24(23)30(28-25)22-12-6-2-7-13-22/h1-2,4-7,10-13,21,27H,3,8-9,14-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 631n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50400783
PNG
(CHEMBL1608462)
Show SMILES CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C21H25N5O2/c1-11(2)26-19-17(10-23-26)15(8-18(25-19)14-5-6-14)20(27)22-9-16-12(3)7-13(4)24-21(16)28/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,22,27)(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLAG-tev-fused EZH2 expressed in baculovirus infected Sf9 insect cells using H3K27 peptide as substrate in presence of [3H]-SAM b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50523853
PNG
(CHEMBL4458579)
Show SMILES CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCc1ccc(F)cc1
Show InChI InChI=1S/C20H27FN4O/c1-4-11-25-18-10-9-16(22-13-14-5-7-15(21)8-6-14)12-17(18)19(23-25)20(26)24(2)3/h5-8,16,22H,4,9-13H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.59E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillati...

Bioorg Med Chem 27: 1824-1835 (2019)


Article DOI: 10.1016/j.bmc.2019.03.030
BindingDB Entry DOI: 10.7270/Q21839XN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 943 total )  |  Next  |  Last  >>
Jump to: