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Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50318566'   
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50318566
PNG
(CHEMBL1086216)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C96H174N36O28/c1-48(2)44-65(86(152)116-52(6)93(159)160)126-83(149)63(30-32-68(101)137)122-78(144)57(23-11-15-35-98)120-81(147)61(27-19-38-110-95(105)106)124-88(154)67-29-21-41-132(67)92(158)51(5)115-77(143)56(22-10-14-34-97)117-71(140)46-112-70(139)45-113-89(155)72(53(7)134)128-87(153)66(47-133)127-82(148)58(24-12-16-36-99)121-80(146)60(26-18-37-109-94(103)104)119-76(142)50(4)114-90(156)73(54(8)135)129-85(151)64(31-33-69(102)138)123-79(145)59(25-13-17-40-131-42-43-131)125-91(157)74(55(9)136)130-84(150)62(118-75(141)49(3)100)28-20-39-111-96(107)108/h48-67,72-74,133-136H,10-47,97-100H2,1-9H3,(H2,101,137)(H2,102,138)(H,112,139)(H,113,155)(H,114,156)(H,115,143)(H,116,152)(H,117,140)(H,118,141)(H,119,142)(H,120,147)(H,121,146)(H,122,144)(H,123,145)(H,124,154)(H,125,157)(H,126,149)(H,127,148)(H,128,153)(H,129,151)(H,130,150)(H,159,160)(H4,103,104,109)(H4,105,106,110)(H4,107,108,111)/t49-,50-,51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.56E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged LSD1 expressed in baculovirus transfected Sf9 cells


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50318566
PNG
(CHEMBL1086216)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C96H174N36O28/c1-48(2)44-65(86(152)116-52(6)93(159)160)126-83(149)63(30-32-68(101)137)122-78(144)57(23-11-15-35-98)120-81(147)61(27-19-38-110-95(105)106)124-88(154)67-29-21-41-132(67)92(158)51(5)115-77(143)56(22-10-14-34-97)117-71(140)46-112-70(139)45-113-89(155)72(53(7)134)128-87(153)66(47-133)127-82(148)58(24-12-16-36-99)121-80(146)60(26-18-37-109-94(103)104)119-76(142)50(4)114-90(156)73(54(8)135)129-85(151)64(31-33-69(102)138)123-79(145)59(25-13-17-40-131-42-43-131)125-91(157)74(55(9)136)130-84(150)62(118-75(141)49(3)100)28-20-39-111-96(107)108/h48-67,72-74,133-136H,10-47,97-100H2,1-9H3,(H2,101,137)(H2,102,138)(H,112,139)(H,113,155)(H,114,156)(H,115,143)(H,116,152)(H,117,140)(H,118,141)(H,119,142)(H,120,147)(H,121,146)(H,122,144)(H,123,145)(H,124,154)(H,125,157)(H,126,149)(H,127,148)(H,128,153)(H,129,151)(H,130,150)(H,159,160)(H4,103,104,109)(H4,105,106,110)(H4,107,108,111)/t49-,50-,51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.56E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant LSD1 catalytic domain (178 to 831 amino acids) (unknown origin) expressed in baculovirus infected insect Sf9 cel...


Medchemcomm 3: 14-21 (2012)


Article DOI: 10.1039/c1md00220a
BindingDB Entry DOI: 10.7270/Q2SX6H67
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50318566
PNG
(CHEMBL1086216)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C96H174N36O28/c1-48(2)44-65(86(152)116-52(6)93(159)160)126-83(149)63(30-32-68(101)137)122-78(144)57(23-11-15-35-98)120-81(147)61(27-19-38-110-95(105)106)124-88(154)67-29-21-41-132(67)92(158)51(5)115-77(143)56(22-10-14-34-97)117-71(140)46-112-70(139)45-113-89(155)72(53(7)134)128-87(153)66(47-133)127-82(148)58(24-12-16-36-99)121-80(146)60(26-18-37-109-94(103)104)119-76(142)50(4)114-90(156)73(54(8)135)129-85(151)64(31-33-69(102)138)123-79(145)59(25-13-17-40-131-42-43-131)125-91(157)74(55(9)136)130-84(150)62(118-75(141)49(3)100)28-20-39-111-96(107)108/h48-67,72-74,133-136H,10-47,97-100H2,1-9H3,(H2,101,137)(H2,102,138)(H,112,139)(H,113,155)(H,114,156)(H,115,143)(H,116,152)(H,117,140)(H,118,141)(H,119,142)(H,120,147)(H,121,146)(H,122,144)(H,123,145)(H,124,154)(H,125,157)(H,126,149)(H,127,148)(H,128,153)(H,129,151)(H,130,150)(H,159,160)(H4,103,104,109)(H4,105,106,110)(H4,107,108,111)/t49-,50-,51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.56E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Reversible Inhibition of LSD1


J Med Chem 53: 5197-212 (2010)


Article DOI: 10.1021/jm100217a
BindingDB Entry DOI: 10.7270/Q2QR4Z35
More data for this
Ligand-Target Pair