Found 3 hits of Enzyme Inhibition Constant Data 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 |
|---|
von Hippel-Lindau disease tumor suppressor
(Homo sapiens (Human)) | BDBM50246759
(CHEMBL4098772)Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C(C)(C)C)C(C)(C)C)cc1 |r| Show InChI InChI=1S/C52H65N7O11S3/c1-33-47(72-31-55-33)35-10-8-34(9-11-35)28-54-49(62)42-25-37(60)29-59(42)50(63)48(51(2,3)4)58-46(61)30-69-21-20-67-17-16-66-18-19-68-22-23-70-43-27-40-38(26-45(43)73(64,65)52(5,6)7)39(14-15-53-40)57-36-12-13-44-41(24-36)56-32-71-44/h8-15,24,26-27,31-32,37,42,48,60H,16-23,25,28-30H2,1-7H3,(H,53,57)(H,54,62)(H,58,61)/t37-,42+,48-/m1/s1 | PDB
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antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 656 | n/a | n/a | n/a | n/a | n/a | n/a |
Shaoxing University
Curated by ChEMBL
| Assay Description
Binding affinity to VHL in human THP-1 cells |
Eur J Med Chem 174: 159-180 (2019)
Article DOI: 10.1016/j.ejmech.2019.04.036
BindingDB Entry DOI: 10.7270/Q2F47SF1 |
More data for this
Ligand-Target Pair | |
Protein cereblon
(Homo sapiens (Human)) | BDBM50512415
(CHEMBL4226052)Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8| Show InChI InChI=1S/C46H47ClN8O9S/c1-26-27(2)65-46-39(26)41(29-7-9-30(47)10-8-29)50-35(42-53-52-28(3)54(42)46)25-38(57)49-31-11-13-32(14-12-31)64-24-23-63-22-21-62-20-19-61-18-17-48-34-6-4-5-33-40(34)45(60)55(44(33)59)36-15-16-37(56)51-43(36)58/h4-14,35-36,48H,15-25H2,1-3H3,(H,49,57)(H,51,56,58)/t35-,36?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a |
Shaoxing University
Curated by ChEMBL
| Assay Description
Binding affinity to CRBN (unknown origin) |
Eur J Med Chem 174: 159-180 (2019)
Article DOI: 10.1016/j.ejmech.2019.04.036
BindingDB Entry DOI: 10.7270/Q2F47SF1 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50512415
(CHEMBL4226052)Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8| Show InChI InChI=1S/C46H47ClN8O9S/c1-26-27(2)65-46-39(26)41(29-7-9-30(47)10-8-29)50-35(42-53-52-28(3)54(42)46)25-38(57)49-31-11-13-32(14-12-31)64-24-23-63-22-21-62-20-19-61-18-17-48-34-6-4-5-33-40(34)45(60)55(44(33)59)36-15-16-37(56)51-43(36)58/h4-14,35-36,48H,15-25H2,1-3H3,(H,49,57)(H,51,56,58)/t35-,36?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a |
Shaoxing University
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) |
Eur J Med Chem 174: 159-180 (2019)
Article DOI: 10.1016/j.ejmech.2019.04.036
BindingDB Entry DOI: 10.7270/Q2F47SF1 |
More data for this
Ligand-Target Pair | |
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