Found 9 hits Enz. Inhib. hit(s) with all data for entry = 11890 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)) | BDBM657907
(US20240083873, Compound 17)Show SMILES CN(C1CCN(C1)C(=O)c1cnc(N[C@@H]2CCc3ncccc23)nc1)C(C)=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM657909
(US20240083873, Compound 23)Show SMILES Brc1cnc2CCC(Nc3ncc(cn3)C(=O)N3CCC4(C3)CCOCC4)c2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM657911
(US20240083873, Compound 26)Show SMILES CCC(=O)N(C)C1CCN(C1)C(=O)c1cnc(N[C@@H]2CCc3ncccc23)nc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM657905
(US20240083873, Compound 2-1)Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(N[C@@H]2CCc3ncccc23)nc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM657908
(US20240083873, Compound 19)Show SMILES Cc1ccc2C(CCc2n1)Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM657906
(US20240083873, Compound 13)Show SMILES CCC1(CC)CCN(C1)C(=O)c1cnc(N[C@@H]2CCc3ncccc23)nc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM657910
(US20240083873, Compound 21)Show SMILES Cc1cnc2CCC(Nc3ncc(cn3)C(=O)N3CCC4(C3)CCOCC4)c2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM657904
(US20240083873, Compound 2)Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2CCc3ncccc23)nc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Pantetheinase
(Homo sapiens (Human)) | BDBM480928
(8-oxa-2-azaspiro[4.5]dec l{2-[(pyrazin-2-ylmethyl)...)Show InChI InChI=1S/C18H22N6O2/c25-16(24-6-1-18(13-24)2-7-26-8-3-18)14-9-21-17(22-10-14)23-12-15-11-19-4-5-20-15/h4-5,9-11H,1-3,6-8,12-13H2,(H,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 11.2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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