Found 6 hits in this display 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 |
|---|
Branched-chain-amino-acid aminotransferase, cytosolic
(Homo sapiens (Human)) | BDBM50607314
(CHEMBL5219349)Show SMILES Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)F)c2ccccc2c1C#N |(2,5.77,;3.34,5,;4.67,5.77,;6,5,;6,3.47,;4.68,2.69,;3.34,3.46,;2,2.69,;2,1.15,;.67,.39,;.67,-1.15,;-.66,-1.92,;-2,-1.15,;-2,.39,;-3.33,-1.92,;-3.33,-3.46,;-2,-4.23,;-.66,-3.46,;.67,-4.23,;-4.66,-4.23,;-4.67,-5.77,;-6,-3.46,;-6,-5,;2.01,-1.93,;2.02,-3.47,;3.36,-4.23,;4.68,-3.45,;4.67,-1.91,;3.34,-1.15,;3.34,.38,;4.67,1.15,;6,1.92,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00441
BindingDB Entry DOI: 10.7270/Q2SN0F31 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, cytosolic
(Homo sapiens (Human)) | BDBM50607314
(CHEMBL5219349)Show SMILES Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)F)c2ccccc2c1C#N |(2,5.77,;3.34,5,;4.67,5.77,;6,5,;6,3.47,;4.68,2.69,;3.34,3.46,;2,2.69,;2,1.15,;.67,.39,;.67,-1.15,;-.66,-1.92,;-2,-1.15,;-2,.39,;-3.33,-1.92,;-3.33,-3.46,;-2,-4.23,;-.66,-3.46,;.67,-4.23,;-4.66,-4.23,;-4.67,-5.77,;-6,-3.46,;-6,-5,;2.01,-1.93,;2.02,-3.47,;3.36,-4.23,;4.68,-3.45,;4.67,-1.91,;3.34,-1.15,;3.34,.38,;4.67,1.15,;6,1.92,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00441
BindingDB Entry DOI: 10.7270/Q2SN0F31 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, cytosolic
(Homo sapiens (Human)) | BDBM50607314
(CHEMBL5219349)Show SMILES Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)F)c2ccccc2c1C#N |(2,5.77,;3.34,5,;4.67,5.77,;6,5,;6,3.47,;4.68,2.69,;3.34,3.46,;2,2.69,;2,1.15,;.67,.39,;.67,-1.15,;-.66,-1.92,;-2,-1.15,;-2,.39,;-3.33,-1.92,;-3.33,-3.46,;-2,-4.23,;-.66,-3.46,;.67,-4.23,;-4.66,-4.23,;-4.67,-5.77,;-6,-3.46,;-6,-5,;2.01,-1.93,;2.02,-3.47,;3.36,-4.23,;4.68,-3.45,;4.67,-1.91,;3.34,-1.15,;3.34,.38,;4.67,1.15,;6,1.92,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00441
BindingDB Entry DOI: 10.7270/Q2SN0F31 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50607314
(CHEMBL5219349)Show SMILES Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)F)c2ccccc2c1C#N |(2,5.77,;3.34,5,;4.67,5.77,;6,5,;6,3.47,;4.68,2.69,;3.34,3.46,;2,2.69,;2,1.15,;.67,.39,;.67,-1.15,;-.66,-1.92,;-2,-1.15,;-2,.39,;-3.33,-1.92,;-3.33,-3.46,;-2,-4.23,;-.66,-3.46,;.67,-4.23,;-4.66,-4.23,;-4.67,-5.77,;-6,-3.46,;-6,-5,;2.01,-1.93,;2.02,-3.47,;3.36,-4.23,;4.68,-3.45,;4.67,-1.91,;3.34,-1.15,;3.34,.38,;4.67,1.15,;6,1.92,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00441
BindingDB Entry DOI: 10.7270/Q2SN0F31 |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50607314
(CHEMBL5219349)Show SMILES Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)F)c2ccccc2c1C#N |(2,5.77,;3.34,5,;4.67,5.77,;6,5,;6,3.47,;4.68,2.69,;3.34,3.46,;2,2.69,;2,1.15,;.67,.39,;.67,-1.15,;-.66,-1.92,;-2,-1.15,;-2,.39,;-3.33,-1.92,;-3.33,-3.46,;-2,-4.23,;-.66,-3.46,;.67,-4.23,;-4.66,-4.23,;-4.67,-5.77,;-6,-3.46,;-6,-5,;2.01,-1.93,;2.02,-3.47,;3.36,-4.23,;4.68,-3.45,;4.67,-1.91,;3.34,-1.15,;3.34,.38,;4.67,1.15,;6,1.92,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00441
BindingDB Entry DOI: 10.7270/Q2SN0F31 |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50607314
(CHEMBL5219349)Show SMILES Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)F)c2ccccc2c1C#N |(2,5.77,;3.34,5,;4.67,5.77,;6,5,;6,3.47,;4.68,2.69,;3.34,3.46,;2,2.69,;2,1.15,;.67,.39,;.67,-1.15,;-.66,-1.92,;-2,-1.15,;-2,.39,;-3.33,-1.92,;-3.33,-3.46,;-2,-4.23,;-.66,-3.46,;.67,-4.23,;-4.66,-4.23,;-4.67,-5.77,;-6,-3.46,;-6,-5,;2.01,-1.93,;2.02,-3.47,;3.36,-4.23,;4.68,-3.45,;4.67,-1.91,;3.34,-1.15,;3.34,.38,;4.67,1.15,;6,1.92,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00441
BindingDB Entry DOI: 10.7270/Q2SN0F31 |
More data for this
Ligand-Target Pair | |