Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50002392 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
REST corepressor 1
(Homo sapiens (Human)) | BDBM50458057
(CHEMBL4210908)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C94H173N35O27S/c1-47(2)43-64(84(148)114-51(6)91(155)156)124-80(144)62(31-32-67(100)134)121-76(140)56(24-12-16-35-96)118-78(142)60(28-20-39-108-93(103)104)122-86(150)66-30-22-41-129(66)90(154)50(5)113-75(139)55(23-11-15-34-95)115-69(136)45-110-68(135)44-111-87(151)70(52(7)131)126-85(149)65(46-130)125-79(143)57(25-13-17-36-97)119-77(141)59(27-19-38-107-92(101)102)117-74(138)49(4)112-88(152)71(53(8)132)127-82(146)58(26-14-18-37-98)120-81(145)63(33-42-157-10)123-89(153)72(54(9)133)128-83(147)61(116-73(137)48(3)99)29-21-40-109-94(105)106/h47-66,70-72,130-133H,11-46,95-99H2,1-10H3,(H2,100,134)(H,110,135)(H,111,151)(H,112,152)(H,113,139)(H,114,148)(H,115,136)(H,116,137)(H,117,138)(H,118,142)(H,119,141)(H,120,145)(H,121,140)(H,122,150)(H,123,153)(H,124,144)(H,125,143)(H,126,149)(H,127,146)(H,128,147)(H,155,156)(H4,101,102,107)(H4,103,104,108)(H4,105,106,109)/t48-,49-,50-,51-,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-,72-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of LSD1/CoREST (unknown origin) |
Eur J Med Chem 148: 210-220 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.098
BindingDB Entry DOI: 10.7270/Q2N0195V |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50458056
(CHEMBL4208031)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C95H172N36O25S/c1-48(2)45-66(88(152)114-50(4)74(101)138)128-84(148)63(31-33-68(100)134)124-80(144)57(24-12-16-37-97)122-83(147)61(28-20-41-110-94(104)105)126-89(153)67-30-22-43-131(67)92(156)53(7)117-78(142)56(23-11-15-36-96)118-71(137)47-112-70(136)46-113-76(140)51(5)115-79(143)64-32-34-69(135)108-39-18-14-26-59(123-85(149)65(35-44-157-10)127-91(155)73(55(9)133)130-87(151)62(119-75(139)49(3)99)29-21-42-111-95(106)107)86(150)129-72(54(8)132)90(154)116-52(6)77(141)120-60(27-19-40-109-93(102)103)82(146)121-58(81(145)125-64)25-13-17-38-98/h48-67,72-73,132-133H,11-47,96-99H2,1-10H3,(H2,100,134)(H2,101,138)(H,108,135)(H,112,136)(H,113,140)(H,114,152)(H,115,143)(H,116,154)(H,117,142)(H,118,137)(H,119,139)(H,120,141)(H,121,146)(H,122,147)(H,123,149)(H,124,144)(H,125,145)(H,126,153)(H,127,155)(H,128,148)(H,129,150)(H,130,151)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t49-,50-,51-,52-,53-,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1/CoREST preincubated for 5 mins followed by ART-(N,N-dimethyl-K)-QTARKSTGGKAPRKQLA substrate addition measured af... |
Eur J Med Chem 148: 210-220 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.098
BindingDB Entry DOI: 10.7270/Q2N0195V |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50458056
(CHEMBL4208031)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C95H172N36O25S/c1-48(2)45-66(88(152)114-50(4)74(101)138)128-84(148)63(31-33-68(100)134)124-80(144)57(24-12-16-37-97)122-83(147)61(28-20-41-110-94(104)105)126-89(153)67-30-22-43-131(67)92(156)53(7)117-78(142)56(23-11-15-36-96)118-71(137)47-112-70(136)46-113-76(140)51(5)115-79(143)64-32-34-69(135)108-39-18-14-26-59(123-85(149)65(35-44-157-10)127-91(155)73(55(9)133)130-87(151)62(119-75(139)49(3)99)29-21-42-111-95(106)107)86(150)129-72(54(8)132)90(154)116-52(6)77(141)120-60(27-19-40-109-93(102)103)82(146)121-58(81(145)125-64)25-13-17-38-98/h48-67,72-73,132-133H,11-47,96-99H2,1-10H3,(H2,100,134)(H2,101,138)(H,108,135)(H,112,136)(H,113,140)(H,114,152)(H,115,143)(H,116,154)(H,117,142)(H,118,137)(H,119,139)(H,120,141)(H,121,146)(H,122,147)(H,123,149)(H,124,144)(H,125,145)(H,126,153)(H,127,155)(H,128,148)(H,129,150)(H,130,151)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t49-,50-,51-,52-,53-,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1/CoREST preincubated for 5 mins followed by ART-(N,N-dimethyl-K)-QTARKSTGGKAPRKQLA substrate addition measured af... |
Eur J Med Chem 148: 210-220 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.098
BindingDB Entry DOI: 10.7270/Q2N0195V |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50458055
(CHEMBL4214605)Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C95H172N36O25S/c1-48(2)45-66(88(152)114-50(4)74(101)138)128-84(148)63(31-33-68(100)134)125-80(144)57(24-12-16-37-97)123-83(147)62(29-21-42-111-95(106)107)127-89(153)67-30-22-43-131(67)92(156)53(7)117-78(142)56(23-11-15-36-96)118-71(137)47-112-70(136)46-113-90(154)72(54(8)132)129-87(151)64-32-34-69(135)108-39-18-14-26-59(124-85(149)65(35-44-157-10)121-76(140)51(5)115-79(143)60(119-75(139)49(3)99)27-19-40-109-93(102)103)86(150)130-73(55(9)133)91(155)116-52(6)77(141)120-61(28-20-41-110-94(104)105)82(146)122-58(81(145)126-64)25-13-17-38-98/h48-67,72-73,132-133H,11-47,96-99H2,1-10H3,(H2,100,134)(H2,101,138)(H,108,135)(H,112,136)(H,113,154)(H,114,152)(H,115,143)(H,116,155)(H,117,142)(H,118,137)(H,119,139)(H,120,141)(H,121,140)(H,122,146)(H,123,147)(H,124,149)(H,125,144)(H,126,145)(H,127,153)(H,128,148)(H,129,151)(H,130,150)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t49-,50-,51-,52-,53-,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1/CoREST preincubated for 5 mins followed by ART-(N,N-dimethyl-K)-QTARKSTGGKAPRKQLA substrate addition measured af... |
Eur J Med Chem 148: 210-220 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.098
BindingDB Entry DOI: 10.7270/Q2N0195V |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50458055
(CHEMBL4214605)Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C95H172N36O25S/c1-48(2)45-66(88(152)114-50(4)74(101)138)128-84(148)63(31-33-68(100)134)125-80(144)57(24-12-16-37-97)123-83(147)62(29-21-42-111-95(106)107)127-89(153)67-30-22-43-131(67)92(156)53(7)117-78(142)56(23-11-15-36-96)118-71(137)47-112-70(136)46-113-90(154)72(54(8)132)129-87(151)64-32-34-69(135)108-39-18-14-26-59(124-85(149)65(35-44-157-10)121-76(140)51(5)115-79(143)60(119-75(139)49(3)99)27-19-40-109-93(102)103)86(150)130-73(55(9)133)91(155)116-52(6)77(141)120-61(28-20-41-110-94(104)105)82(146)122-58(81(145)126-64)25-13-17-38-98/h48-67,72-73,132-133H,11-47,96-99H2,1-10H3,(H2,100,134)(H2,101,138)(H,108,135)(H,112,136)(H,113,154)(H,114,152)(H,115,143)(H,116,155)(H,117,142)(H,118,137)(H,119,139)(H,120,141)(H,121,140)(H,122,146)(H,123,147)(H,124,149)(H,125,144)(H,126,145)(H,127,153)(H,128,148)(H,129,151)(H,130,150)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t49-,50-,51-,52-,53-,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1/CoREST preincubated for 5 mins followed by ART-(N,N-dimethyl-K)-QTARKSTGGKAPRKQLA substrate addition measured af... |
Eur J Med Chem 148: 210-220 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.098
BindingDB Entry DOI: 10.7270/Q2N0195V |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50446143
(CHEMBL3108897)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#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](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#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]-1=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#7])=O |r| Show InChI InChI=1S/C96H174N36O26S/c1-48(2)45-66(88(153)115-50(4)75(102)140)128-83(148)63(31-33-68(101)136)124-79(144)57(24-12-16-37-98)122-82(147)61(28-20-41-111-95(105)106)126-89(154)67-30-22-43-132(67)93(158)52(6)117-78(143)56(23-11-15-36-97)118-71(139)47-113-70(138)46-114-90(155)72(53(7)133)129-87(152)64-32-34-69(137)109-39-18-14-26-59(123-84(149)65(35-44-159-10)127-92(157)74(55(9)135)131-86(151)62(119-76(141)49(3)100)29-21-42-112-96(107)108)85(150)130-73(54(8)134)91(156)116-51(5)77(142)120-60(27-19-40-110-94(103)104)81(146)121-58(80(145)125-64)25-13-17-38-99/h48-67,72-74,133-135H,11-47,97-100H2,1-10H3,(H2,101,136)(H2,102,140)(H,109,137)(H,113,138)(H,114,155)(H,115,153)(H,116,156)(H,117,143)(H,118,139)(H,119,141)(H,120,142)(H,121,146)(H,122,147)(H,123,149)(H,124,144)(H,125,145)(H,126,154)(H,127,157)(H,128,148)(H,129,152)(H,130,150)(H,131,151)(H4,103,104,110)(H4,105,106,111)(H4,107,108,112)/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human LSD1/CoREST preincubated for 5 mins followed by ART-(N,N-dimethyl-K)-QTARKSTGGKAPRKQLA substrate addition measured af... |
Eur J Med Chem 148: 210-220 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.098
BindingDB Entry DOI: 10.7270/Q2N0195V |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50240772
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B (unknown origin) by luminescence assay |
Eur J Med Chem 148: 210-220 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.098
BindingDB Entry DOI: 10.7270/Q2N0195V |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50240772
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of MAO-A (unknown origin) by luminescence assay |
Eur J Med Chem 148: 210-220 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.098
BindingDB Entry DOI: 10.7270/Q2N0195V |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50458055
(CHEMBL4214605)Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C95H172N36O25S/c1-48(2)45-66(88(152)114-50(4)74(101)138)128-84(148)63(31-33-68(100)134)125-80(144)57(24-12-16-37-97)123-83(147)62(29-21-42-111-95(106)107)127-89(153)67-30-22-43-131(67)92(156)53(7)117-78(142)56(23-11-15-36-96)118-71(137)47-112-70(136)46-113-90(154)72(54(8)132)129-87(151)64-32-34-69(135)108-39-18-14-26-59(124-85(149)65(35-44-157-10)121-76(140)51(5)115-79(143)60(119-75(139)49(3)99)27-19-40-109-93(102)103)86(150)130-73(55(9)133)91(155)116-52(6)77(141)120-61(28-20-41-110-94(104)105)82(146)122-58(81(145)126-64)25-13-17-38-98/h48-67,72-73,132-133H,11-47,96-99H2,1-10H3,(H2,100,134)(H2,101,138)(H,108,135)(H,112,136)(H,113,154)(H,114,152)(H,115,143)(H,116,155)(H,117,142)(H,118,137)(H,119,139)(H,120,141)(H,121,140)(H,122,146)(H,123,147)(H,124,149)(H,125,144)(H,126,145)(H,127,153)(H,128,148)(H,129,151)(H,130,150)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t49-,50-,51-,52-,53-,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B (unknown origin) by luminescence assay |
Eur J Med Chem 148: 210-220 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.098
BindingDB Entry DOI: 10.7270/Q2N0195V |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50458055
(CHEMBL4214605)Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C95H172N36O25S/c1-48(2)45-66(88(152)114-50(4)74(101)138)128-84(148)63(31-33-68(100)134)125-80(144)57(24-12-16-37-97)123-83(147)62(29-21-42-111-95(106)107)127-89(153)67-30-22-43-131(67)92(156)53(7)117-78(142)56(23-11-15-36-96)118-71(137)47-112-70(136)46-113-90(154)72(54(8)132)129-87(151)64-32-34-69(135)108-39-18-14-26-59(124-85(149)65(35-44-157-10)121-76(140)51(5)115-79(143)60(119-75(139)49(3)99)27-19-40-109-93(102)103)86(150)130-73(55(9)133)91(155)116-52(6)77(141)120-61(28-20-41-110-94(104)105)82(146)122-58(81(145)126-64)25-13-17-38-98/h48-67,72-73,132-133H,11-47,96-99H2,1-10H3,(H2,100,134)(H2,101,138)(H,108,135)(H,112,136)(H,113,154)(H,114,152)(H,115,143)(H,116,155)(H,117,142)(H,118,137)(H,119,139)(H,120,141)(H,121,140)(H,122,146)(H,123,147)(H,124,149)(H,125,144)(H,126,145)(H,127,153)(H,128,148)(H,129,151)(H,130,150)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t49-,50-,51-,52-,53-,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Inhibition of MAO-A (unknown origin) by luminescence assay |
Eur J Med Chem 148: 210-220 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.098
BindingDB Entry DOI: 10.7270/Q2N0195V |
More data for this
Ligand-Target Pair | |
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