Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50012891 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 |
|---|
Pantetheinase
(Homo sapiens (Human)) | BDBM510538
(US11078182, Ex. 3.2)Show SMILES CCC(C)(C)Nc1ccc(cn1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of vanin-1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM510537
(US11078182, Ex. 3.1)Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)CCO)nc1)C(C)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of vanin-1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM510516
(US11078182, Ex. 1.2)Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)C)nc1)C(=O)C1CC(F)(F)C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of vanin-1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM510520
(US11078182, Ex. 1.6)Show SMILES CC(C)(C)Nc1ccc(cn1)C(=O)N1CC[C@@H](C1)N1CCOC1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of vanin-1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM510517
(US11078182, Ex. 1.3)Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)C)nc1)C(=O)[C@@H]1CCCO1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of vanin-1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM510546
(N-tert-Butyl-5-[3-methyl-3-(pyridin-2-yl)azetidine...)Show SMILES CC(C)(C)Nc1ccc(cn1)C(=O)N1CC(C)(C1)c1ccccn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of vanin-1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM510537
(US11078182, Ex. 3.1)Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)CCO)nc1)C(C)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human vanin-1 in whole blood |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM510517
(US11078182, Ex. 1.3)Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)C)nc1)C(=O)[C@@H]1CCCO1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human vanin-1 in whole blood |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM510546
(N-tert-Butyl-5-[3-methyl-3-(pyridin-2-yl)azetidine...)Show SMILES CC(C)(C)Nc1ccc(cn1)C(=O)N1CC(C)(C1)c1ccccn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human vanin-1 in whole blood |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM510538
(US11078182, Ex. 3.2)Show SMILES CCC(C)(C)Nc1ccc(cn1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human vanin-1 in whole blood |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM510516
(US11078182, Ex. 1.2)Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)C)nc1)C(=O)C1CC(F)(F)C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human vanin-1 in whole blood |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM510520
(US11078182, Ex. 1.6)Show SMILES CC(C)(C)Nc1ccc(cn1)C(=O)N1CC[C@@H](C1)N1CCOC1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human vanin-1 in whole blood |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00389
BindingDB Entry DOI: 10.7270/Q2K93C88 |
More data for this
Ligand-Target Pair | |
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