Found 27 hits of ki for UniProtKB: Q9UKL0 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
REST corepressor 1
(Homo sapiens (Human)) | BDBM50262048
(CHEMBL3134377)Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | |
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)) | BDBM50346870
(CHEMBL1797647)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](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#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]-[#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](-[#8])=O |r| Show InChI InChI=1S/C93H169N35O28S/c1-45(2)41-62(83(148)113-49(6)90(155)156)123-79(144)59(28-30-65(98)133)119-75(140)54(22-12-15-34-95)117-77(142)57(25-18-37-107-92(102)103)121-85(150)64-27-20-39-128(64)89(154)48(5)112-74(139)53(21-11-14-33-94)114-68(136)43-109-67(135)42-110-86(151)69(50(7)130)125-84(149)63(44-129)124-78(143)55(23-13-16-35-96)118-76(141)56(24-17-36-106-91(100)101)116-73(138)47(4)111-87(152)70(51(8)131)126-82(147)60(29-31-66(99)134)120-80(145)61(32-40-157-10)122-88(153)71(52(9)132)127-81(146)58(115-72(137)46(3)97)26-19-38-108-93(104)105/h45-64,69-71,129-132H,11-44,94-97H2,1-10H3,(H2,98,133)(H2,99,134)(H,109,135)(H,110,151)(H,111,152)(H,112,139)(H,113,148)(H,114,136)(H,115,137)(H,116,138)(H,117,142)(H,118,141)(H,119,140)(H,120,145)(H,121,150)(H,122,153)(H,123,144)(H,124,143)(H,125,149)(H,126,147)(H,127,146)(H,155,156)(H4,100,101,106)(H4,102,103,107)(H4,104,105,108)/t46-,47-,48-,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Mean functional activity against human H3 receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50586370
(CHEMBL5084197)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCn2cc(COc3cc(OCc4cn(CCSSCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O)nn4)cc(c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)nn2 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LSD1/CoREST |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01371
BindingDB Entry DOI: 10.7270/Q2KS6WFP |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50586371
(CHEMBL5089876)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCOCCn2cc(COc3cc(OCc4cn(CCOCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O)nn4)cc(c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)nn2 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LSD1/CoREST |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01371
BindingDB Entry DOI: 10.7270/Q2KS6WFP |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50594106
(CHEMBL5202637)Show SMILES COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCCN(C)C)nc2cc1OCc1ccccc1 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50586363
(CHEMBL5079374)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Blocking activity was assessed by antagonism of (-)-noradrenaline induced contraction of rat prostatic vas deferens (alpha1A adrenoceptor) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50594086
(CHEMBL5170197)Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccc(cc4)-c4ccccc4)CC3)c2cc1OC | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 146 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50594083
(CHEMBL5179091)Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CCCc4ccccc4)CC3)c2cc1OC | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50594098
(CHEMBL5198334)Show SMILES COc1cc2nc(NCCCN(C)CC#C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 153 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50594085
(CHEMBL5178765)Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2cc1OC | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
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PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 156 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50407795
(CHEMBL5281080)Show SMILES C[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CC3CCCCC3N2C(=O)[C@H]2Cc3ccccc3CN2C1=O |r| Show InChI InChI=1S/C39H53N9O6S/c1-23-37(53)47-22-26-11-3-2-9-24(26)19-32(47)38(54)48-30-14-5-4-10-25(30)20-31(48)36(52)46-28(13-6-17-43-39(40)41)34(50)42-16-7-15-33(49)45-29(35(51)44-23)21-27-12-8-18-55-27/h2-3,8-9,11-12,18,23,25,28-32H,4-7,10,13-17,19-22H2,1H3,(H,42,50)(H,44,51)(H,45,49)(H,46,52)(H4,40,41,43)/t23-,25?,28-,29-,30?,31-,32+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Mean functional activity against human H3 receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50586373
(CHEMBL5075544)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1cc(OCc2cn(CCO)nn2)cc(OCc2cn(CCO)nn2)c1)C(N)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LSD1/CoREST |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01371
BindingDB Entry DOI: 10.7270/Q2KS6WFP |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50594101
(CHEMBL5175171)Show SMILES COc1cc2nc(NCCCN3CCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50594099
(CHEMBL5186174)Show SMILES CCN(CC)CCCNc1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(OC)c(OC)cc2n1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50594100
(CHEMBL5181017)Show SMILES COc1cc2nc(NCCCN3CCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 183 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50407796
(CHEMBL1255711)Show SMILES [#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C36H48N8O6/c37-20-31(45)41-27(17-22-9-2-1-3-10-22)33(47)43-21-25-13-5-4-11-23(25)18-30(43)34(48)44-28-15-7-6-12-24(28)19-29(44)32(46)42-26(35(49)50)14-8-16-40-36(38)39/h1-5,9-11,13,24,26-30H,6-8,12,14-21,37H2,(H,41,45)(H,42,46)(H,49,50)(H4,38,39,40)/t24?,26-,27-,28?,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Mean functional activity against human H3 receptor |
Citation and Details
|
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50594090
(CHEMBL5205888)Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 205 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50407722
(CHEMBL5287743)Show InChI InChI=1S/C13H11N3OS2/c1-8-6-12(19-16-8)15-13(17)14-10-2-3-11-9(7-10)4-5-18-11/h2-7H,1H3,(H2,14,15,17) | PDB
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| CHEMBL
PC cid
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UniChem
| | 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Blocking activity was assessed by antagonism of (-)-phenylephrine induced contraction of rat spleen (alpha1B adrenoceptor) |
Citation and Details
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More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50594084
(CHEMBL5204694)Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4cccc5ccccc45)CC3)c2cc1OC | PDB
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UniChem
| Article
PubMed
| 212 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50507295
(CHEMBL1232432)Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC Show InChI InChI=1S/C27H38N6O2/c1-32(2)14-8-13-28-27-30-23-18-25(35-4)24(34-3)17-22(23)26(31-27)29-21-11-15-33(16-12-21)19-20-9-6-5-7-10-20/h5-7,9-10,17-18,21H,8,11-16,19H2,1-4H3,(H2,28,29,30,31) | PDB
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UniChem
| PDB
Article
PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50594087
(CHEMBL5189687)Show SMILES COc1cc2nc(NCCCN(C)C)nc(N(C)C3CCN(Cc4ccccc4)CC3)c2cc1OC | PDB
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| PC cid
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| Article
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| 569 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7 |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50586372
(CHEMBL5085737)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCn2cc(COc3cccc(OCc4cn(CCSSCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O)nn4)c3)nn2 |r| | PDB
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| PC cid
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UniChem
| Article
PubMed
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LSD1/CoREST |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01371
BindingDB Entry DOI: 10.7270/Q2KS6WFP |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50346863
(CHEMBL1797640 | US8765820, 5b)Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19) | PDB
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Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LSD1/CoREST expressed in Escherichia coli using histone H3 peptide monomethylated at Lys4 as substrate by peroxidase-coupled assa... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50346864
(CHEMBL1797641 | CHEMBL3104337 | US8765820, 8)Show SMILES NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C26H27N3O3/c27-23-16-22(23)20-11-13-21(14-12-20)28-25(30)24(15-18-7-3-1-4-8-18)29-26(31)32-17-19-9-5-2-6-10-19/h1-14,22-24H,15-17,27H2,(H,28,30)(H,29,31) | PDB
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LSD1/CoREST expressed in Escherichia coli using histone H3 peptide monomethylated at Lys4 as substrate by peroxidase-coupled assa... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50346586
(CHEMBL1795981 | US8765820, 5a)Show InChI InChI=1S/C17H18N2O2/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20) | PDB
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UniChem
| Article
PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LSD1/CoREST expressed in Escherichia coli using histone H3 peptide monomethylated at Lys4 as substrate by peroxidase-coupled assa... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00919
BindingDB Entry DOI: 10.7270/Q28K7DTB |
More data for this
Ligand-Target Pair | |
REST corepressor 1
(Homo sapiens (Human)) | BDBM50407721
(CHEMBL5266466)Show InChI InChI=1S/C14H14N4O2/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19) | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
| | 2.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Blocking activity was assessed by antagonism of (-)-phenylephrine induced contraction of rat spleen (alpha1B adrenoceptor) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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