Found 25 hits Enz. Inhib. hit(s) with Target = 'High mobility group protein B1' 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 |
|---|
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50185127
((3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en...)Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O |r,t:18| Show InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to HMGB1 (unknown origin) |
J Med Chem 56: 97-108 (2013)
Article DOI: 10.1021/jm301248y
BindingDB Entry DOI: 10.7270/Q20C4X20 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50056920
(5,5'-methylenebis(2-hydroxy-3-methylbenzoic acid) ...)Show SMILES Cc1cc(Cc2cc(C)c(O)c(c2)C(O)=O)cc(C(O)=O)c1O Show InChI InChI=1S/C17H16O6/c1-8-3-10(6-12(14(8)18)16(20)21)5-11-4-9(2)15(19)13(7-11)17(22)23/h3-4,6-7,18-19H,5H2,1-2H3,(H,20,21)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 9.00E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to full-length N-terminal 6His-tagged HMGB1 (unknown origin) by NMR spectra |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50185127
((3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en...)Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O |r,t:18| Show InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 8.70E+4 | n/a | n/a | n/a | n/a | n/a |
The Feinstein Institute for Medical Research
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant HMGB1 B box region (90 to 175 residues) (unknown origin) expressed Escherichia coli after 5 mins by fluorescence-base... |
J Med Chem 61: 5093-5107 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01136
BindingDB Entry DOI: 10.7270/Q2XK8J1Z |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM66082
((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
The Feinstein Institute for Medical Research
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminal 6His-tagged HMGB1 AI region (1 to 87 residues) (unknown origin) expressed in Escherichia coli JM109 by SPR assay |
J Med Chem 61: 5093-5107 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01136
BindingDB Entry DOI: 10.7270/Q2XK8J1Z |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM26193
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
The Feinstein Institute for Medical Research
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant HMGB1 box A (unknown origin) |
J Med Chem 61: 5093-5107 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01136
BindingDB Entry DOI: 10.7270/Q2XK8J1Z |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50271261
(CHEMBL4129393)Show InChI InChI=1S/C9H11NO3/c10-5-4-6-2-1-3-7(8(6)11)9(12)13/h1-3,11H,4-5,10H2,(H,12,13) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
The Feinstein Institute for Medical Research
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant HMGB1 box A (unknown origin) |
J Med Chem 61: 5093-5107 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01136
BindingDB Entry DOI: 10.7270/Q2XK8J1Z |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50271261
(CHEMBL4129393)Show InChI InChI=1S/C9H11NO3/c10-5-4-6-2-1-3-7(8(6)11)9(12)13/h1-3,11H,4-5,10H2,(H,12,13) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
The Feinstein Institute for Medical Research
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant HMGB1 box B (unknown origin) |
J Med Chem 61: 5093-5107 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01136
BindingDB Entry DOI: 10.7270/Q2XK8J1Z |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM66082
((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
The Feinstein Institute for Medical Research
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminal 6His-tagged HMGB1 Bj region (88 to 181 residues) (unknown origin) expressed in Escherichia coli JM109 by SPR assay |
J Med Chem 61: 5093-5107 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01136
BindingDB Entry DOI: 10.7270/Q2XK8J1Z |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM26193
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
The Feinstein Institute for Medical Research
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant HMGB1 box B (unknown origin) |
J Med Chem 61: 5093-5107 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01136
BindingDB Entry DOI: 10.7270/Q2XK8J1Z |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575107
(CHEMBL4867183)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575108
(CHEMBL4858896)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575109
(CHEMBL4860199)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575110
(CHEMBL4864623)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.62E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575111
(CHEMBL4850898)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575112
(CHEMBL4875121)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575113
(CHEMBL4853073)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575114
(CHEMBL4858278)Show SMILES C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575115
(CHEMBL4859744)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](C)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575116
(CHEMBL4858354)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575117
(CHEMBL4853693)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575107
(CHEMBL4867183)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 BoxA (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50575107
(CHEMBL4867183)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 6His-tagged HMGB1 BoxB (unknown origin) incubated for 15 mins by MST analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | 1.60E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to full-length N-terminal 6His-tagged HMGB1 (unknown origin) by NMR spectra |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50185127
((3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en...)Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O |r,t:18| Show InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to full-length N-terminal 6His-tagged HMGB1 (unknown origin) by NMR spectra |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00852
BindingDB Entry DOI: 10.7270/Q2JW8JP5 |
More data for this
Ligand-Target Pair | |
High mobility group protein B1
(Homo sapiens (Human)) | BDBM50185127
((3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en...)Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O |r,t:18| Show InChI InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.03E+5 | n/a | n/a | n/a | n/a | n/a |
The Feinstein Institute for Medical Research
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant HMGB1 A box region (1 to 89 residues) (unknown origin) expressed Escherichia coli after 5 mins by fluorescence-based ... |
J Med Chem 61: 5093-5107 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01136
BindingDB Entry DOI: 10.7270/Q2XK8J1Z |
More data for this
Ligand-Target Pair | |
Search and Browse
