Found 10 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 |
|---|
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50122749
(CHEMBL3623144)Show SMILES CNC(=O)c1ccc(cc1O[C@@H]1CCN(C1)C(=O)c1ccc(Br)s1)-c1ccccc1NS(C)(=O)=O |r| Show InChI InChI=1S/C24H24BrN3O5S2/c1-26-23(29)18-8-7-15(17-5-3-4-6-19(17)27-35(2,31)32)13-20(18)33-16-11-12-28(14-16)24(30)21-9-10-22(25)34-21/h3-10,13,16,27H,11-12,14H2,1-2H3,(H,26,29)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human BCATm after 10 mins by fluorescent assay |
ACS Med Chem Lett 6: 919-24 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00179
BindingDB Entry DOI: 10.7270/Q2GB25T0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50122748
(CHEMBL3623145)Show SMILES CNC(=O)c1ccc(cc1O[C@@H]1CCN(C1)C(=O)c1ccc(Cl)s1)-c1ccccc1NS(C)(=O)=O |r| Show InChI InChI=1S/C24H24ClN3O5S2/c1-26-23(29)18-8-7-15(17-5-3-4-6-19(17)27-35(2,31)32)13-20(18)33-16-11-12-28(14-16)24(30)21-9-10-22(25)34-21/h3-10,13,16,27H,11-12,14H2,1-2H3,(H,26,29)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human BCATm after 10 mins by fluorescent assay |
ACS Med Chem Lett 6: 919-24 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00179
BindingDB Entry DOI: 10.7270/Q2GB25T0 |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50122750
(CHEMBL3623143)Show SMILES CNC(=O)c1ccc(cc1OC1CCN(C1)C(=O)c1ccc(Br)s1)-c1ccccc1NS(C)(=O)=O Show InChI InChI=1S/C24H24BrN3O5S2/c1-26-23(29)18-8-7-15(17-5-3-4-6-19(17)27-35(2,31)32)13-20(18)33-16-11-12-28(14-16)24(30)21-9-10-22(25)34-21/h3-10,13,16,27H,11-12,14H2,1-2H3,(H,26,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human BCATm after 10 mins by fluorescent assay |
ACS Med Chem Lett 6: 919-24 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00179
BindingDB Entry DOI: 10.7270/Q2GB25T0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50122747
(CHEMBL3623146)Show SMILES CNC(=O)c1ccc(cc1O[C@@H]1CCN(C1)C(=O)c1ccc(s1)C#N)-c1ccccc1NS(C)(=O)=O |r| Show InChI InChI=1S/C25H24N4O5S2/c1-27-24(30)20-9-7-16(19-5-3-4-6-21(19)28-36(2,32)33)13-22(20)34-17-11-12-29(15-17)25(31)23-10-8-18(14-26)35-23/h3-10,13,17,28H,11-12,15H2,1-2H3,(H,27,30)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human BCATm after 10 mins by fluorescent assay |
ACS Med Chem Lett 6: 919-24 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00179
BindingDB Entry DOI: 10.7270/Q2GB25T0 |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50122746
(CHEMBL3623147)Show SMILES CNC(=O)c1ccc(cc1O[C@@H]1CCN(C1)C(=O)c1ccc(Br)s1)-c1ccccc1C |r| Show InChI InChI=1S/C24H23BrN2O3S/c1-15-5-3-4-6-18(15)16-7-8-19(23(28)26-2)20(13-16)30-17-11-12-27(14-17)24(29)21-9-10-22(25)31-21/h3-10,13,17H,11-12,14H2,1-2H3,(H,26,28)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human BCATm after 10 mins by fluorescent assay |
ACS Med Chem Lett 6: 919-24 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00179
BindingDB Entry DOI: 10.7270/Q2GB25T0 |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50122752
(CHEMBL3623142)Show SMILES CNC(=O)c1ccc(cc1OC1CCN(C1)C(=O)c1ccc(Br)s1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C24H21BrN2O5S/c1-26-22(28)18-6-5-15(14-3-2-4-16(11-14)24(30)31)12-19(18)32-17-9-10-27(13-17)23(29)20-7-8-21(25)33-20/h2-8,11-12,17H,9-10,13H2,1H3,(H,26,28)(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human BCATm after 10 mins by fluorescent assay |
ACS Med Chem Lett 6: 919-24 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00179
BindingDB Entry DOI: 10.7270/Q2GB25T0 |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50122754
(CHEMBL3623140)Show SMILES CNC(=O)c1ccc(cc1OC1CCN(C1)C(=O)c1cc(Br)ccc1NC(=O)OC(C)(C)C)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H32BrN3O7/c1-31(2,3)42-30(40)34-25-11-9-21(32)16-24(25)28(37)35-13-12-22(17-35)41-26-15-19(8-10-23(26)27(36)33-4)18-6-5-7-20(14-18)29(38)39/h5-11,14-16,22H,12-13,17H2,1-4H3,(H,33,36)(H,34,40)(H,38,39) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human BCATm after 10 mins by fluorescent assay |
ACS Med Chem Lett 6: 919-24 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00179
BindingDB Entry DOI: 10.7270/Q2GB25T0 |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50122745
(CHEMBL3623148)Show SMILES CNC(=O)c1ccc(cc1O[C@@H]1CCN(C1)C(=O)c1ccc(Br)s1)-c1ccccc1 |r| Show InChI InChI=1S/C23H21BrN2O3S/c1-25-22(27)18-8-7-16(15-5-3-2-4-6-15)13-19(18)29-17-11-12-26(14-17)23(28)20-9-10-21(24)30-20/h2-10,13,17H,11-12,14H2,1H3,(H,25,27)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human BCATm after 10 mins by fluorescent assay |
ACS Med Chem Lett 6: 919-24 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00179
BindingDB Entry DOI: 10.7270/Q2GB25T0 |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50122744
(CHEMBL3623149)Show InChI InChI=1S/C17H17BrN2O3S/c1-19-16(21)12-4-2-3-5-13(12)23-11-8-9-20(10-11)17(22)14-6-7-15(18)24-14/h2-7,11H,8-10H2,1H3,(H,19,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human BCATm after 10 mins by fluorescent assay |
ACS Med Chem Lett 6: 919-24 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00179
BindingDB Entry DOI: 10.7270/Q2GB25T0 |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50122753
(CHEMBL3623141)Show SMILES CNC(=O)c1ccc(cc1OC1CCN(C1)C(=O)c1cc(Br)ccc1N)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C26H24BrN3O5/c1-29-24(31)20-7-5-16(15-3-2-4-17(11-15)26(33)34)12-23(20)35-19-9-10-30(14-19)25(32)21-13-18(27)6-8-22(21)28/h2-8,11-13,19H,9-10,14,28H2,1H3,(H,29,31)(H,33,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human BCATm after 10 mins by fluorescent assay |
ACS Med Chem Lett 6: 919-24 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00179
BindingDB Entry DOI: 10.7270/Q2GB25T0 |
More data for this
Ligand-Target Pair | |
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