new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 682 hits with Last Name = 'kawano' and Initial = 's'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50190307
PNG
(Ac-RYYRIK-GGG-K-(NH2)-YAFGYPS-GG | CHEMBL414736)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C100H144N28O25/c1-5-56(2)85(127-93(148)72(21-14-42-110-100(106)107)121-94(149)74(46-61-25-33-65(132)34-26-61)125-95(150)75(47-62-27-35-66(133)36-28-62)124-92(147)71(118-58(4)130)20-13-41-109-99(104)105)97(152)122-70(19-9-11-39-101)89(144)114-51-81(137)112-50-80(136)113-53-83(139)119-69(86(103)141)18-10-12-40-108-79(135)49-111-82(138)52-115-91(146)77(55-129)126-96(151)78-22-15-43-128(78)98(153)76(48-63-29-37-67(134)38-30-63)120-84(140)54-116-90(145)73(45-59-16-7-6-8-17-59)123-87(142)57(3)117-88(143)68(102)44-60-23-31-64(131)32-24-60/h6-8,16-17,23-38,56-57,68-78,85,129,131-134H,5,9-15,18-22,39-55,101-102H2,1-4H3,(H2,103,141)(H,108,135)(H,111,138)(H,112,137)(H,113,136)(H,114,144)(H,115,146)(H,116,145)(H,117,143)(H,118,130)(H,119,139)(H,120,140)(H,121,149)(H,122,152)(H,123,142)(H,124,147)(H,125,150)(H,126,151)(H,127,148)(H4,104,105,109)(H4,106,107,110)/t56-,57-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,85-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00236n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50190307
PNG
(Ac-RYYRIK-GGG-K-(NH2)-YAFGYPS-GG | CHEMBL414736)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C100H144N28O25/c1-5-56(2)85(127-93(148)72(21-14-42-110-100(106)107)121-94(149)74(46-61-25-33-65(132)34-26-61)125-95(150)75(47-62-27-35-66(133)36-28-62)124-92(147)71(118-58(4)130)20-13-41-109-99(104)105)97(152)122-70(19-9-11-39-101)89(144)114-51-81(137)112-50-80(136)113-53-83(139)119-69(86(103)141)18-10-12-40-108-79(135)49-111-82(138)52-115-91(146)77(55-129)126-96(151)78-22-15-43-128(78)98(153)76(48-63-29-37-67(134)38-30-63)120-84(140)54-116-90(145)73(45-59-16-7-6-8-17-59)123-87(142)57(3)117-88(143)68(102)44-60-23-31-64(131)32-24-60/h6-8,16-17,23-38,56-57,68-78,85,129,131-134H,5,9-15,18-22,39-55,101-102H2,1-4H3,(H2,103,141)(H,108,135)(H,111,138)(H,112,137)(H,113,136)(H,114,144)(H,115,146)(H,116,145)(H,117,143)(H,118,130)(H,119,139)(H,120,140)(H,121,149)(H,122,152)(H,123,142)(H,124,147)(H,125,150)(H,126,151)(H,127,148)(H4,104,105,109)(H4,106,107,110)/t56-,57-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,85-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0464n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]NOC from human ORL1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50190308
PNG
(Ac-RYYRIK-GGG-K-(NH2)-YRFB-GGGGG | CHEMBL441930)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C85H130N28O19/c1-3-49(2)72(113-79(129)62(20-13-38-100-85(94)95)108-80(130)65(43-53-25-31-56(116)32-26-53)112-81(131)64(42-52-23-29-55(115)30-24-52)110-74(124)57(87)16-11-36-98-83(90)91)82(132)109-60(18-7-9-34-86)76(126)105-47-70(121)103-46-69(120)104-48-71(122)106-59(73(89)123)17-8-10-35-96-67(118)44-102-68(119)45-101-66(117)33-39-97-77(127)63(41-50-14-5-4-6-15-50)111-78(128)61(19-12-37-99-84(92)93)107-75(125)58(88)40-51-21-27-54(114)28-22-51/h4-6,14-15,21-32,49,57-65,72,114-116H,3,7-13,16-20,33-48,86-88H2,1-2H3,(H2,89,123)(H,96,118)(H,97,127)(H,101,117)(H,102,119)(H,103,121)(H,104,120)(H,105,126)(H,106,122)(H,107,125)(H,108,130)(H,109,132)(H,110,124)(H,111,128)(H,112,131)(H,113,129)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t49-,57-,58-,59-,60-,61+,62-,63-,64-,65-,72-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0477n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50190308
PNG
(Ac-RYYRIK-GGG-K-(NH2)-YRFB-GGGGG | CHEMBL441930)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C85H130N28O19/c1-3-49(2)72(113-79(129)62(20-13-38-100-85(94)95)108-80(130)65(43-53-25-31-56(116)32-26-53)112-81(131)64(42-52-23-29-55(115)30-24-52)110-74(124)57(87)16-11-36-98-83(90)91)82(132)109-60(18-7-9-34-86)76(126)105-47-70(121)103-46-69(120)104-48-71(122)106-59(73(89)123)17-8-10-35-96-67(118)44-102-68(119)45-101-66(117)33-39-97-77(127)63(41-50-14-5-4-6-15-50)111-78(128)61(19-12-37-99-84(92)93)107-75(125)58(88)40-51-21-27-54(114)28-22-51/h4-6,14-15,21-32,49,57-65,72,114-116H,3,7-13,16-20,33-48,86-88H2,1-2H3,(H2,89,123)(H,96,118)(H,97,127)(H,101,117)(H,102,119)(H,103,121)(H,104,120)(H,105,126)(H,106,122)(H,107,125)(H,108,130)(H,109,132)(H,110,124)(H,111,128)(H,112,131)(H,113,129)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t49-,57-,58-,59-,60-,61+,62-,63-,64-,65-,72-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0803n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]NOC from human ORL1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50190306
PNG
(Ac-RYYRIK-K-(NH2)-YAFGYPS | CHEMBL404792)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C90H129N23O20/c1-5-51(2)75(112-83(128)67(21-14-42-100-90(96)97)106-84(129)69(46-56-25-33-60(117)34-26-56)110-85(130)70(47-57-27-35-61(118)36-28-57)109-81(126)65(103-53(4)115)20-13-41-99-89(94)95)87(132)107-66(19-9-11-39-91)82(127)105-64(76(93)121)18-10-12-40-98-80(125)72(50-114)111-86(131)73-22-15-43-113(73)88(133)71(48-58-29-37-62(119)38-30-58)104-74(120)49-101-79(124)68(45-54-16-7-6-8-17-54)108-77(122)52(3)102-78(123)63(92)44-55-23-31-59(116)32-24-55/h6-8,16-17,23-38,51-52,63-73,75,114,116-119H,5,9-15,18-22,39-50,91-92H2,1-4H3,(H2,93,121)(H,98,125)(H,101,124)(H,102,123)(H,103,115)(H,104,120)(H,105,127)(H,106,129)(H,107,132)(H,108,122)(H,109,126)(H,110,130)(H,111,131)(H,112,128)(H4,94,95,99)(H4,96,97,100)/t51-,52-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,75-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172085
PNG
(US10155002, Compound 91 | US9090562, 91)
Show SMILES CCNCc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C32H42N4O3/c1-6-33-19-24-8-10-25(11-9-24)26-17-28(31(37)34-20-29-21(3)16-22(4)35-32(29)38)23(5)30(18-26)36(7-2)27-12-14-39-15-13-27/h8-11,16-18,27,33H,6-7,12-15,19-20H2,1-5H3,(H,34,37)(H,35,38)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.520n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172085
PNG
(US10155002, Compound 91 | US9090562, 91)
Show SMILES CCNCc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C32H42N4O3/c1-6-33-19-24-8-10-25(11-9-24)26-17-28(31(37)34-20-29-21(3)16-22(4)35-32(29)38)23(5)30(18-26)36(7-2)27-12-14-39-15-13-27/h8-11,16-18,27,33H,6-7,12-15,19-20H2,1-5H3,(H,34,37)(H,35,38)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.520n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.538n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172163
PNG
(US10155002, Compound 171 | US9090562, 171)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C33H44N6O3/c1-6-39(27-9-15-42-16-10-27)30-19-26(25-7-8-31(34-20-25)38-13-11-37(5)12-14-38)18-28(24(30)4)32(40)35-21-29-22(2)17-23(3)36-33(29)41/h7-8,17-20,27H,6,9-16,21H2,1-5H3,(H,35,40)(H,36,41)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.760n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172163
PNG
(US10155002, Compound 171 | US9090562, 171)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C33H44N6O3/c1-6-39(27-9-15-42-16-10-27)30-19-26(25-7-8-31(34-20-25)38-13-11-37(5)12-14-38)18-28(24(30)4)32(40)35-21-29-22(2)17-23(3)36-33(29)41/h7-8,17-20,27H,6,9-16,21H2,1-5H3,(H,35,40)(H,36,41)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.760n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50190305
PNG
(Ac-RYYRIK-NH2 | CHEMBL437723)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C44H70N14O9/c1-4-25(2)36(42(67)54-31(37(46)62)9-5-6-20-45)58-39(64)33(11-8-22-52-44(49)50)55-40(65)34(23-27-12-16-29(60)17-13-27)57-41(66)35(24-28-14-18-30(61)19-15-28)56-38(63)32(53-26(3)59)10-7-21-51-43(47)48/h12-19,25,31-36,60-61H,4-11,20-24,45H2,1-3H3,(H2,46,62)(H,53,59)(H,54,67)(H,55,65)(H,56,63)(H,57,66)(H,58,64)(H4,47,48,51)(H4,49,50,52)/t25-,31-,32-,33-,34-,35-,36-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.767n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]NOC from human ORL1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50190309
PNG
(Ac-RYYRIK-K-(NH2)-YRFB | CHEMBL412939)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C77H117N23O15/c1-4-45(2)64(100-71(112)59(21-14-39-91-77(85)86)95-72(113)61(43-49-24-30-52(103)31-25-49)99-73(114)62(44-50-26-32-53(104)33-27-50)98-68(109)56(92-46(3)101)19-12-37-89-75(81)82)74(115)96-57(18-8-10-35-78)69(110)93-55(65(80)106)17-9-11-36-87-63(105)34-40-88-67(108)60(42-47-15-6-5-7-16-47)97-70(111)58(20-13-38-90-76(83)84)94-66(107)54(79)41-48-22-28-51(102)29-23-48/h5-7,15-16,22-33,45,54-62,64,102-104H,4,8-14,17-21,34-44,78-79H2,1-3H3,(H2,80,106)(H,87,105)(H,88,108)(H,92,101)(H,93,110)(H,94,107)(H,95,113)(H,96,115)(H,97,111)(H,98,109)(H,99,114)(H,100,112)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)/t45-,54-,55-,56-,57-,58+,59-,60-,61-,62-,64-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.789n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]NOC from human ORL1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172087
PNG
(US10155002, Compound 93 | US9090562, 93)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCC2CC2)cc1
Show InChI InChI=1S/C34H44N4O3/c1-5-38(29-12-14-41-15-13-29)32-18-28(27-10-8-26(9-11-27)20-35-19-25-6-7-25)17-30(24(32)4)33(39)36-21-31-22(2)16-23(3)37-34(31)40/h8-11,16-18,25,29,35H,5-7,12-15,19-21H2,1-4H3,(H,36,39)(H,37,40)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.870n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172087
PNG
(US10155002, Compound 93 | US9090562, 93)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCC2CC2)cc1
Show InChI InChI=1S/C34H44N4O3/c1-5-38(29-12-14-41-15-13-29)32-18-28(27-10-8-26(9-11-27)20-35-19-25-6-7-25)17-30(24(32)4)33(39)36-21-31-22(2)16-23(3)37-34(31)40/h8-11,16-18,25,29,35H,5-7,12-15,19-21H2,1-4H3,(H,36,39)(H,37,40)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.870n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172176
PNG
(EPZ009161 | US10155002, Compound 184 | US9090562, ...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C34H46N6O3/c1-5-7-25-18-23(3)38-34(42)30(25)22-37-33(41)29-19-27(26-8-9-32(36-21-26)39-14-12-35-13-15-39)20-31(24(29)4)40(6-2)28-10-16-43-17-11-28/h8-9,18-21,28,35H,5-7,10-17,22H2,1-4H3,(H,37,41)(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.920n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172176
PNG
(EPZ009161 | US10155002, Compound 184 | US9090562, ...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C34H46N6O3/c1-5-7-25-18-23(3)38-34(42)30(25)22-37-33(41)29-19-27(26-8-9-32(36-21-26)39-14-12-35-13-15-39)20-31(24(29)4)40(6-2)28-10-16-43-17-11-28/h8-9,18-21,28,35H,5-7,10-17,22H2,1-4H3,(H,37,41)(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.920n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172080
PNG
(US10155002, Compound 86 | US9090562, 86)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCNCC2)cc1
Show InChI InChI=1S/C35H47N5O3/c1-5-40(30-11-17-43-18-12-30)33-21-29(28-9-7-27(8-10-28)23-39-15-6-13-36-14-16-39)20-31(26(33)4)34(41)37-22-32-24(2)19-25(3)38-35(32)42/h7-10,19-21,30,36H,5-6,11-18,22-23H2,1-4H3,(H,37,41)(H,38,42)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.12n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172080
PNG
(US10155002, Compound 86 | US9090562, 86)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCNCC2)cc1
Show InChI InChI=1S/C35H47N5O3/c1-5-40(30-11-17-43-18-12-30)33-21-29(28-9-7-27(8-10-28)23-39-15-6-13-36-14-16-39)20-31(26(33)4)34(41)37-22-32-24(2)19-25(3)38-35(32)42/h7-10,19-21,30,36H,5-6,11-18,22-23H2,1-4H3,(H,37,41)(H,38,42)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.12n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50190304
PNG
(CHEMBL215513 | YRFB)
Show SMILES [#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C27H37N7O6/c28-20(15-18-8-10-19(35)11-9-18)24(38)33-21(7-4-13-32-27(29)30)26(40)34-22(16-17-5-2-1-3-6-17)25(39)31-14-12-23(36)37/h1-3,5-6,8-11,20-22,35H,4,7,12-16,28H2,(H,31,39)(H,33,38)(H,34,40)(H,36,37)(H4,29,30,32)/t20-,21-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.18n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172138
PNG
(EPZ007428 | US10155002, Compound 145 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnn(C)c1 |r,wU:3.2,wD:6.9,(-2,5.32,;-3.33,4.55,;-3.33,3.01,;-4.67,2.24,;-4.67,.7,;-6,-.07,;-7.34,.7,;-7.34,2.24,;-6,3.01,;-8.67,-.07,;-10,.7,;-8.67,-1.61,;-2,2.24,;-2,.7,;-.67,-.07,;.67,.7,;.67,2.24,;2,3.01,;2,4.55,;3.33,2.24,;4.67,3.01,;6,2.24,;7.34,3.01,;7.34,4.55,;8.67,2.24,;8.67,.7,;10,-.07,;7.34,-.07,;6,.7,;4.67,-.07,;-.67,3.01,;-.67,4.55,;-.67,-1.61,;-1.91,-2.52,;-1.44,-3.98,;.1,-3.98,;.87,-5.32,;.58,-2.52,)|
Show InChI InChI=1/C30H42N6O2/c1-8-36(25-11-9-24(10-12-25)34(5)6)28-15-22(23-16-32-35(7)18-23)14-26(21(28)4)29(37)31-17-27-19(2)13-20(3)33-30(27)38/h13-16,18,24-25H,8-12,17H2,1-7H3,(H,31,37)(H,33,38)/t24-,25-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.39n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172138
PNG
(EPZ007428 | US10155002, Compound 145 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnn(C)c1 |r,wU:3.2,wD:6.9,(-2,5.32,;-3.33,4.55,;-3.33,3.01,;-4.67,2.24,;-4.67,.7,;-6,-.07,;-7.34,.7,;-7.34,2.24,;-6,3.01,;-8.67,-.07,;-10,.7,;-8.67,-1.61,;-2,2.24,;-2,.7,;-.67,-.07,;.67,.7,;.67,2.24,;2,3.01,;2,4.55,;3.33,2.24,;4.67,3.01,;6,2.24,;7.34,3.01,;7.34,4.55,;8.67,2.24,;8.67,.7,;10,-.07,;7.34,-.07,;6,.7,;4.67,-.07,;-.67,3.01,;-.67,4.55,;-.67,-1.61,;-1.91,-2.52,;-1.44,-3.98,;.1,-3.98,;.87,-5.32,;.58,-2.52,)|
Show InChI InChI=1/C30H42N6O2/c1-8-36(25-11-9-24(10-12-25)34(5)6)28-15-22(23-16-32-35(7)18-23)14-26(21(28)4)29(37)31-17-27-19(2)13-20(3)33-30(27)38/h13-16,18,24-25H,8-12,17H2,1-7H3,(H,31,37)(H,33,38)/t24-,25-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.39n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172135
PNG
(EPZ007210 | US10155002, Compound 141 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCOCC2)cc1 |r,wU:3.2,wD:6.9,(4.23,-2.67,;3.47,-1.33,;1.93,-1.33,;1.15,-2.67,;1.93,-4,;1.15,-5.33,;-.38,-5.33,;-1.15,-4,;-.38,-2.67,;-1.15,-6.67,;-.39,-8,;-2.69,-6.67,;1.15,,;-.38,,;-1.15,1.33,;-.38,2.67,;1.15,2.67,;1.93,4,;1.15,5.33,;3.47,4,;4.23,5.33,;5.78,5.33,;6.54,6.67,;5.78,8,;8.08,6.67,;8.85,5.33,;10.39,5.33,;8.08,4,;6.54,4,;5.78,2.67,;1.93,1.33,;3.47,1.33,;-2.69,1.33,;-3.47,2.67,;-5,2.67,;-5.78,1.33,;-7.31,1.33,;-8.08,2.67,;-7.32,4,;-8.08,5.33,;-9.63,5.33,;-10.39,4,;-9.63,2.67,;-5,,;-3.47,,)|
Show InChI InChI=1/C37H50N5O3/c1-7-42(32-14-12-31(13-15-32)40(5)6)35-22-30(29-10-8-28(9-11-29)24-41-16-18-45-19-17-41)21-33(27(35)4)36(43)38-23-34-25(2)20-26(3)39-37(34)44/h8-11,20-22,31-32H,7,12-19,23-24H2,1-6H3,(H,38,43)/t31-,32-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.51n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172135
PNG
(EPZ007210 | US10155002, Compound 141 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCOCC2)cc1 |r,wU:3.2,wD:6.9,(4.23,-2.67,;3.47,-1.33,;1.93,-1.33,;1.15,-2.67,;1.93,-4,;1.15,-5.33,;-.38,-5.33,;-1.15,-4,;-.38,-2.67,;-1.15,-6.67,;-.39,-8,;-2.69,-6.67,;1.15,,;-.38,,;-1.15,1.33,;-.38,2.67,;1.15,2.67,;1.93,4,;1.15,5.33,;3.47,4,;4.23,5.33,;5.78,5.33,;6.54,6.67,;5.78,8,;8.08,6.67,;8.85,5.33,;10.39,5.33,;8.08,4,;6.54,4,;5.78,2.67,;1.93,1.33,;3.47,1.33,;-2.69,1.33,;-3.47,2.67,;-5,2.67,;-5.78,1.33,;-7.31,1.33,;-8.08,2.67,;-7.32,4,;-8.08,5.33,;-9.63,5.33,;-10.39,4,;-9.63,2.67,;-5,,;-3.47,,)|
Show InChI InChI=1/C37H50N5O3/c1-7-42(32-14-12-31(13-15-32)40(5)6)35-22-30(29-10-8-28(9-11-29)24-41-16-18-45-19-17-41)21-33(27(35)4)36(43)38-23-34-25(2)20-26(3)39-37(34)44/h8-11,20-22,31-32H,7,12-19,23-24H2,1-6H3,(H,38,43)/t31-,32-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.51n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172089
PNG
(US10155002, Compound 95 | US9090562, 95)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNC[C@@H](O)CO)cc1 |r|
Show InChI InChI=1/C33H44N4O5/c1-5-37(27-10-12-42-13-11-27)31-16-26(25-8-6-24(7-9-25)17-34-18-28(39)20-38)15-29(23(31)4)32(40)35-19-30-21(2)14-22(3)36-33(30)41/h6-9,14-16,27-28,34,38-39H,5,10-13,17-20H2,1-4H3,(H,35,40)(H,36,41)/t28-/s2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.55n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172089
PNG
(US10155002, Compound 95 | US9090562, 95)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNC[C@@H](O)CO)cc1 |r|
Show InChI InChI=1/C33H44N4O5/c1-5-37(27-10-12-42-13-11-27)31-16-26(25-8-6-24(7-9-25)17-34-18-28(39)20-38)15-29(23(31)4)32(40)35-19-30-21(2)14-22(3)36-33(30)41/h6-9,14-16,27-28,34,38-39H,5,10-13,17-20H2,1-4H3,(H,35,40)(H,36,41)/t28-/s2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.55n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172162
PNG
(US10155002, Compound 170 | US9090562, 170)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(C)CC1 |r,wU:3.2,wD:6.9,(3.47,8,;2.69,6.67,;3.47,5.33,;5,5.33,;5.78,6.67,;7.31,6.67,;8.08,5.33,;7.31,4,;5.78,4,;9.63,5.33,;10.39,6.67,;10.39,4,;2.69,4,;1.15,4,;.38,2.67,;1.15,1.33,;2.69,1.33,;3.47,,;5,,;2.69,-1.33,;3.47,-2.67,;2.69,-4,;3.47,-5.33,;5,-5.33,;2.69,-6.67,;1.15,-6.67,;.38,-8,;.38,-5.33,;1.15,-4,;.38,-2.67,;3.47,2.67,;5,2.67,;-1.15,2.67,;-1.93,4,;-3.47,4,;-4.23,2.67,;-3.47,1.33,;-1.93,1.33,;-5.78,2.67,;-6.54,4,;-8.08,4,;-8.85,2.67,;-10.39,2.67,;-8.08,1.33,;-6.54,1.33,)|
Show InChI InChI=1/C36H51N7O2/c1-8-43(30-12-10-29(11-13-30)40(5)6)33-21-28(27-9-14-34(37-22-27)42-17-15-41(7)16-18-42)20-31(26(33)4)35(44)38-23-32-24(2)19-25(3)39-36(32)45/h9,14,19-22,29-30H,8,10-13,15-18,23H2,1-7H3,(H,38,44)(H,39,45)/t29-,30-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.63n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172162
PNG
(US10155002, Compound 170 | US9090562, 170)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(C)CC1 |r,wU:3.2,wD:6.9,(3.47,8,;2.69,6.67,;3.47,5.33,;5,5.33,;5.78,6.67,;7.31,6.67,;8.08,5.33,;7.31,4,;5.78,4,;9.63,5.33,;10.39,6.67,;10.39,4,;2.69,4,;1.15,4,;.38,2.67,;1.15,1.33,;2.69,1.33,;3.47,,;5,,;2.69,-1.33,;3.47,-2.67,;2.69,-4,;3.47,-5.33,;5,-5.33,;2.69,-6.67,;1.15,-6.67,;.38,-8,;.38,-5.33,;1.15,-4,;.38,-2.67,;3.47,2.67,;5,2.67,;-1.15,2.67,;-1.93,4,;-3.47,4,;-4.23,2.67,;-3.47,1.33,;-1.93,1.33,;-5.78,2.67,;-6.54,4,;-8.08,4,;-8.85,2.67,;-10.39,2.67,;-8.08,1.33,;-6.54,1.33,)|
Show InChI InChI=1/C36H51N7O2/c1-8-43(30-12-10-29(11-13-30)40(5)6)33-21-28(27-9-14-34(37-22-27)42-17-15-41(7)16-18-42)20-31(26(33)4)35(44)38-23-32-24(2)19-25(3)39-36(32)45/h9,14,19-22,29-30H,8,10-13,15-18,23H2,1-7H3,(H,38,44)(H,39,45)/t29-,30-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.63n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172181
PNG
(US10155002, Compound 189 | US9090562, 189)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C40H57N7O3/c1-6-8-30-23-28(3)43-40(49)36(30)27-42-39(48)35-24-32(25-37(29(35)4)47(7-2)34-13-21-50-22-14-34)31-9-10-38(41-26-31)46-19-17-45(18-20-46)33-11-15-44(5)16-12-33/h9-10,23-26,33-34H,6-8,11-22,27H2,1-5H3,(H,42,48)(H,43,49)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.64n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172181
PNG
(US10155002, Compound 189 | US9090562, 189)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C40H57N7O3/c1-6-8-30-23-28(3)43-40(49)36(30)27-42-39(48)35-24-32(25-37(29(35)4)47(7-2)34-13-21-50-22-14-34)31-9-10-38(41-26-31)46-19-17-45(18-20-46)33-11-15-44(5)16-12-33/h9-10,23-26,33-34H,6-8,11-22,27H2,1-5H3,(H,42,48)(H,43,49)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.64n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172181
PNG
(US10155002, Compound 189 | US9090562, 189)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C40H57N7O3/c1-6-8-30-23-28(3)43-40(49)36(30)27-42-39(48)35-24-32(25-37(29(35)4)47(7-2)34-13-21-50-22-14-34)31-9-10-38(41-26-31)46-19-17-45(18-20-46)33-11-15-44(5)16-12-33/h9-10,23-26,33-34H,6-8,11-22,27H2,1-5H3,(H,42,48)(H,43,49)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.82n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172181
PNG
(US10155002, Compound 189 | US9090562, 189)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C40H57N7O3/c1-6-8-30-23-28(3)43-40(49)36(30)27-42-39(48)35-24-32(25-37(29(35)4)47(7-2)34-13-21-50-22-14-34)31-9-10-38(41-26-31)46-19-17-45(18-20-46)33-11-15-44(5)16-12-33/h9-10,23-26,33-34H,6-8,11-22,27H2,1-5H3,(H,42,48)(H,43,49)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.82n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172135
PNG
(EPZ007210 | US10155002, Compound 141 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCOCC2)cc1 |r,wU:3.2,wD:6.9,(4.23,-2.67,;3.47,-1.33,;1.93,-1.33,;1.15,-2.67,;1.93,-4,;1.15,-5.33,;-.38,-5.33,;-1.15,-4,;-.38,-2.67,;-1.15,-6.67,;-.39,-8,;-2.69,-6.67,;1.15,,;-.38,,;-1.15,1.33,;-.38,2.67,;1.15,2.67,;1.93,4,;1.15,5.33,;3.47,4,;4.23,5.33,;5.78,5.33,;6.54,6.67,;5.78,8,;8.08,6.67,;8.85,5.33,;10.39,5.33,;8.08,4,;6.54,4,;5.78,2.67,;1.93,1.33,;3.47,1.33,;-2.69,1.33,;-3.47,2.67,;-5,2.67,;-5.78,1.33,;-7.31,1.33,;-8.08,2.67,;-7.32,4,;-8.08,5.33,;-9.63,5.33,;-10.39,4,;-9.63,2.67,;-5,,;-3.47,,)|
Show InChI InChI=1/C37H50N5O3/c1-7-42(32-14-12-31(13-15-32)40(5)6)35-22-30(29-10-8-28(9-11-29)24-41-16-18-45-19-17-41)21-33(27(35)4)36(43)38-23-34-25(2)20-26(3)39-37(34)44/h8-11,20-22,31-32H,7,12-19,23-24H2,1-6H3,(H,38,43)/t31-,32-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.95n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172135
PNG
(EPZ007210 | US10155002, Compound 141 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCOCC2)cc1 |r,wU:3.2,wD:6.9,(4.23,-2.67,;3.47,-1.33,;1.93,-1.33,;1.15,-2.67,;1.93,-4,;1.15,-5.33,;-.38,-5.33,;-1.15,-4,;-.38,-2.67,;-1.15,-6.67,;-.39,-8,;-2.69,-6.67,;1.15,,;-.38,,;-1.15,1.33,;-.38,2.67,;1.15,2.67,;1.93,4,;1.15,5.33,;3.47,4,;4.23,5.33,;5.78,5.33,;6.54,6.67,;5.78,8,;8.08,6.67,;8.85,5.33,;10.39,5.33,;8.08,4,;6.54,4,;5.78,2.67,;1.93,1.33,;3.47,1.33,;-2.69,1.33,;-3.47,2.67,;-5,2.67,;-5.78,1.33,;-7.31,1.33,;-8.08,2.67,;-7.32,4,;-8.08,5.33,;-9.63,5.33,;-10.39,4,;-9.63,2.67,;-5,,;-3.47,,)|
Show InChI InChI=1/C37H50N5O3/c1-7-42(32-14-12-31(13-15-32)40(5)6)35-22-30(29-10-8-28(9-11-29)24-41-16-18-45-19-17-41)21-33(27(35)4)36(43)38-23-34-25(2)20-26(3)39-37(34)44/h8-11,20-22,31-32H,7,12-19,23-24H2,1-6H3,(H,38,43)/t31-,32-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.95n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172084
PNG
(US10155002, Compound 90 | US9090562, 90)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNC)cc1
Show InChI InChI=1S/C31H40N4O3/c1-6-35(26-11-13-38-14-12-26)29-17-25(24-9-7-23(8-10-24)18-32-5)16-27(22(29)4)30(36)33-19-28-20(2)15-21(3)34-31(28)37/h7-10,15-17,26,32H,6,11-14,18-19H2,1-5H3,(H,33,36)(H,34,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.99n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172084
PNG
(US10155002, Compound 90 | US9090562, 90)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNC)cc1
Show InChI InChI=1S/C31H40N4O3/c1-6-35(26-11-13-38-14-12-26)29-17-25(24-9-7-23(8-10-24)18-32-5)16-27(22(29)4)30(36)33-19-28-20(2)15-21(3)34-31(28)37/h7-10,15-17,26,32H,6,11-14,18-19H2,1-5H3,(H,33,36)(H,34,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.99n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172088
PNG
(US10155002, Compound 94 | US9090562, 94)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C34H46N4O3/c1-7-37(8-2)22-26-10-12-27(13-11-26)28-19-30(33(39)35-21-31-23(4)18-24(5)36-34(31)40)25(6)32(20-28)38(9-3)29-14-16-41-17-15-29/h10-13,18-20,29H,7-9,14-17,21-22H2,1-6H3,(H,35,39)(H,36,40)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.07n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172088
PNG
(US10155002, Compound 94 | US9090562, 94)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C34H46N4O3/c1-7-37(8-2)22-26-10-12-27(13-11-26)28-19-30(33(39)35-21-31-23(4)18-24(5)36-34(31)40)25(6)32(20-28)38(9-3)29-14-16-41-17-15-29/h10-13,18-20,29H,7-9,14-17,21-22H2,1-6H3,(H,35,39)(H,36,40)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.07n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172065
PNG
(US10155002, Compound 71 | US9090562, 71)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CC[C@@H](O)C2)cc1 |r|
Show InChI InChI=1/C34H44N4O4/c1-5-38(28-11-14-42-15-12-28)32-18-27(26-8-6-25(7-9-26)20-37-13-10-29(39)21-37)17-30(24(32)4)33(40)35-19-31-22(2)16-23(3)36-34(31)41/h6-9,16-18,28-29,39H,5,10-15,19-21H2,1-4H3,(H,35,40)(H,36,41)/t29-/s2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.19n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172065
PNG
(US10155002, Compound 71 | US9090562, 71)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CC[C@@H](O)C2)cc1 |r|
Show InChI InChI=1/C34H44N4O4/c1-5-38(28-11-14-42-15-12-28)32-18-27(26-8-6-25(7-9-26)20-37-13-10-29(39)21-37)17-30(24(32)4)33(40)35-19-31-22(2)16-23(3)36-34(31)41/h6-9,16-18,28-29,39H,5,10-15,19-21H2,1-4H3,(H,35,40)(H,36,41)/t29-/s2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.19n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172173
PNG
(US10155002, Compound 181 | US9090562, 181)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(cc1)C(=O)N1CCC1 |r,wU:3.2,wD:6.9,(2.28,8,;1.51,6.67,;2.28,5.33,;3.82,5.33,;4.59,6.67,;6.13,6.67,;6.9,5.33,;6.13,4,;4.59,4,;8.44,5.33,;9.21,4,;9.21,6.67,;1.51,4,;-.03,4,;-.8,2.67,;-.03,1.33,;1.51,1.33,;2.28,,;3.82,,;1.51,-1.33,;2.28,-2.67,;1.51,-4,;2.28,-5.33,;3.82,-5.33,;1.51,-6.67,;-.03,-6.67,;-.8,-8,;-.8,-5.33,;-.03,-4,;-.8,-2.67,;2.28,2.67,;3.82,2.67,;-2.34,2.67,;-3.11,4,;-4.65,4,;-5.42,2.67,;-4.65,1.33,;-3.11,1.33,;-6.96,2.67,;-7.73,1.33,;-7.73,4,;-7.33,5.49,;-8.82,5.89,;-9.21,4.4,)|
Show InChI InChI=1/C36H47N5O3/c1-7-41(30-15-13-29(14-16-30)39(5)6)33-21-28(26-9-11-27(12-10-26)36(44)40-17-8-18-40)20-31(25(33)4)34(42)37-22-32-23(2)19-24(3)38-35(32)43/h9-12,19-21,29-30H,7-8,13-18,22H2,1-6H3,(H,37,42)(H,38,43)/t29-,30-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.23n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172173
PNG
(US10155002, Compound 181 | US9090562, 181)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(cc1)C(=O)N1CCC1 |r,wU:3.2,wD:6.9,(2.28,8,;1.51,6.67,;2.28,5.33,;3.82,5.33,;4.59,6.67,;6.13,6.67,;6.9,5.33,;6.13,4,;4.59,4,;8.44,5.33,;9.21,4,;9.21,6.67,;1.51,4,;-.03,4,;-.8,2.67,;-.03,1.33,;1.51,1.33,;2.28,,;3.82,,;1.51,-1.33,;2.28,-2.67,;1.51,-4,;2.28,-5.33,;3.82,-5.33,;1.51,-6.67,;-.03,-6.67,;-.8,-8,;-.8,-5.33,;-.03,-4,;-.8,-2.67,;2.28,2.67,;3.82,2.67,;-2.34,2.67,;-3.11,4,;-4.65,4,;-5.42,2.67,;-4.65,1.33,;-3.11,1.33,;-6.96,2.67,;-7.73,1.33,;-7.73,4,;-7.33,5.49,;-8.82,5.89,;-9.21,4.4,)|
Show InChI InChI=1/C36H47N5O3/c1-7-41(30-15-13-29(14-16-30)39(5)6)33-21-28(26-9-11-27(12-10-26)36(44)40-17-8-18-40)20-31(25(33)4)34(42)37-22-32-23(2)19-24(3)38-35(32)43/h9-12,19-21,29-30H,7-8,13-18,22H2,1-6H3,(H,37,42)(H,38,43)/t29-,30-
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.23n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172093
PNG
(US10155002, Compound 99 | US9090562, 99)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCCCO)cc1
Show InChI InChI=1S/C33H44N4O4/c1-5-37(28-11-15-41-16-12-28)31-19-27(26-9-7-25(8-10-26)20-34-13-6-14-38)18-29(24(31)4)32(39)35-21-30-22(2)17-23(3)36-33(30)40/h7-10,17-19,28,34,38H,5-6,11-16,20-21H2,1-4H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.37n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172093
PNG
(US10155002, Compound 99 | US9090562, 99)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCCCO)cc1
Show InChI InChI=1S/C33H44N4O4/c1-5-37(28-11-15-41-16-12-28)31-19-27(26-9-7-25(8-10-26)20-34-13-6-14-38)18-29(24(31)4)32(39)35-21-30-22(2)17-23(3)36-33(30)40/h7-10,17-19,28,34,38H,5-6,11-16,20-21H2,1-4H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.37n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172088
PNG
(US10155002, Compound 94 | US9090562, 94)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C34H46N4O3/c1-7-37(8-2)22-26-10-12-27(13-11-26)28-19-30(33(39)35-21-31-23(4)18-24(5)36-34(31)40)25(6)32(20-28)38(9-3)29-14-16-41-17-15-29/h10-13,18-20,29H,7-9,14-17,21-22H2,1-6H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.46n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172088
PNG
(US10155002, Compound 94 | US9090562, 94)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C34H46N4O3/c1-7-37(8-2)22-26-10-12-27(13-11-26)28-19-30(33(39)35-21-31-23(4)18-24(5)36-34(31)40)25(6)32(20-28)38(9-3)29-14-16-41-17-15-29/h10-13,18-20,29H,7-9,14-17,21-22H2,1-6H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.46n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172093
PNG
(US10155002, Compound 99 | US9090562, 99)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCCCO)cc1
Show InChI InChI=1S/C33H44N4O4/c1-5-37(28-11-15-41-16-12-28)31-19-27(26-9-7-25(8-10-26)20-34-13-6-14-38)18-29(24(31)4)32(39)35-21-30-22(2)17-23(3)36-33(30)40/h7-10,17-19,28,34,38H,5-6,11-16,20-21H2,1-4H3,(H,35,39)(H,36,40)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.56n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172093
PNG
(US10155002, Compound 99 | US9090562, 99)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCCCO)cc1
Show InChI InChI=1S/C33H44N4O4/c1-5-37(28-11-15-41-16-12-28)31-19-27(26-9-7-25(8-10-26)20-34-13-6-14-38)18-29(24(31)4)32(39)35-21-30-22(2)17-23(3)36-33(30)40/h7-10,17-19,28,34,38H,5-6,11-16,20-21H2,1-4H3,(H,35,39)(H,36,40)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.56n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172087
PNG
(US10155002, Compound 93 | US9090562, 93)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCC2CC2)cc1
Show InChI InChI=1S/C34H44N4O3/c1-5-38(29-12-14-41-15-13-29)32-18-28(27-10-8-26(9-11-27)20-35-19-25-6-7-25)17-30(24(32)4)33(39)36-21-31-22(2)16-23(3)37-34(31)40/h8-11,16-18,25,29,35H,5-7,12-15,19-21H2,1-4H3,(H,36,39)(H,37,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.58n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172087
PNG
(US10155002, Compound 93 | US9090562, 93)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCC2CC2)cc1
Show InChI InChI=1S/C34H44N4O3/c1-5-38(29-12-14-41-15-13-29)32-18-28(27-10-8-26(9-11-27)20-35-19-25-6-7-25)17-30(24(32)4)33(39)36-21-31-22(2)16-23(3)37-34(31)40/h8-11,16-18,25,29,35H,5-7,12-15,19-21H2,1-4H3,(H,36,39)(H,37,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.58n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens (Human))
BDBM172063
PNG
(US10155002, Compound 69 | US9090562, 69)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C34H44N4O3/c1-5-38(29-12-16-41-17-13-29)32-20-28(27-10-8-26(9-11-27)22-37-14-6-7-15-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h8-11,18-20,29H,5-7,12-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US10155002 (2018)


BindingDB Entry DOI: 10.7270/Q2KS6TM3
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 682 total )  |  Next  |  Last  >>
Jump to: