Found 44 hits with Last Name = 'beljean' and Initial = 'a' 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)) | BDBM50173927
(CHEMBL3808902)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H24BrN5O2S/c1-27-24(32)15-8-9-20-19(13-15)30-23(18-7-2-3-12-28-18)31(20)17-6-4-5-16(14-17)29-25(33)21-10-11-22(26)34-21/h2-3,7-13,16-17H,4-6,14H2,1H3,(H,27,32)(H,29,33)/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173927
(CHEMBL3808902)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H24BrN5O2S/c1-27-24(32)15-8-9-20-19(13-15)30-23(18-7-2-3-12-28-18)31(20)17-6-4-5-16(14-17)29-25(33)21-10-11-22(26)34-21/h2-3,7-13,16-17H,4-6,14H2,1H3,(H,27,32)(H,29,33)/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173926
(CHEMBL3808971)Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C24H22BrN5O2S/c25-21-10-9-20(33-21)24(32)28-15-4-3-5-16(13-15)30-19-8-7-14(22(26)31)12-18(19)29-23(30)17-6-1-2-11-27-17/h1-2,6-12,15-16H,3-5,13H2,(H2,26,31)(H,28,32)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173928
(CHEMBL3809839)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H25BrN4O2S/c1-28-25(32)17-10-11-21-20(14-17)30-24(16-6-3-2-4-7-16)31(21)19-9-5-8-18(15-19)29-26(33)22-12-13-23(27)34-22/h2-4,6-7,10-14,18-19H,5,8-9,15H2,1H3,(H,28,32)(H,29,33)/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173926
(CHEMBL3808971)Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C24H22BrN5O2S/c25-21-10-9-20(33-21)24(32)28-15-4-3-5-16(13-15)30-19-8-7-14(22(26)31)12-18(19)29-23(30)17-6-1-2-11-27-17/h1-2,6-12,15-16H,3-5,13H2,(H2,26,31)(H,28,32)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173928
(CHEMBL3809839)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H25BrN4O2S/c1-28-25(32)17-10-11-21-20(14-17)30-24(16-6-3-2-4-7-16)31(21)19-9-5-8-18(15-19)29-26(33)22-12-13-23(27)34-22/h2-4,6-7,10-14,18-19H,5,8-9,15H2,1H3,(H,28,32)(H,29,33)/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173923
(CHEMBL3810317)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1cccs1 |r| Show InChI InChI=1S/C24H23BrN4O2S2/c1-26-23(30)14-7-8-18-17(12-14)28-22(19-6-3-11-32-19)29(18)16-5-2-4-15(13-16)27-24(31)20-9-10-21(25)33-20/h3,6-12,15-16H,2,4-5,13H2,1H3,(H,26,30)(H,27,31)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173922
(CHEMBL3809282)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccsc1 |r| Show InChI InChI=1S/C24H23BrN4O2S2/c1-26-23(30)14-5-6-19-18(11-14)28-22(15-9-10-32-13-15)29(19)17-4-2-3-16(12-17)27-24(31)20-7-8-21(25)33-20/h5-11,13,16-17H,2-4,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173922
(CHEMBL3809282)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccsc1 |r| Show InChI InChI=1S/C24H23BrN4O2S2/c1-26-23(30)14-5-6-19-18(11-14)28-22(15-9-10-32-13-15)29(19)17-4-2-3-16(12-17)27-24(31)20-7-8-21(25)33-20/h5-11,13,16-17H,2-4,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173923
(CHEMBL3810317)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1cccs1 |r| Show InChI InChI=1S/C24H23BrN4O2S2/c1-26-23(30)14-7-8-18-17(12-14)28-22(19-6-3-11-32-19)29(18)16-5-2-4-15(13-16)27-24(31)20-9-10-21(25)33-20/h3,6-12,15-16H,2,4-5,13H2,1H3,(H,26,30)(H,27,31)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173939
(CHEMBL3809237)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1SC |r| Show InChI InChI=1S/C27H27BrN4O2S2/c1-29-26(33)16-10-11-21-20(14-16)31-25(19-8-3-4-9-22(19)35-2)32(21)18-7-5-6-17(15-18)30-27(34)23-12-13-24(28)36-23/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)(H,30,34)/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173918
(CHEMBL3809916)Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(s3)C#N)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H22N6O2S/c26-14-18-8-10-22(34-18)25(33)29-16-4-3-5-17(13-16)31-21-9-7-15(23(27)32)12-20(21)30-24(31)19-6-1-2-11-28-19/h1-2,6-12,16-17H,3-5,13H2,(H2,27,32)(H,29,33)/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173939
(CHEMBL3809237)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1SC |r| Show InChI InChI=1S/C27H27BrN4O2S2/c1-29-26(33)16-10-11-21-20(14-16)31-25(19-8-3-4-9-22(19)35-2)32(21)18-7-5-6-17(15-18)30-27(34)23-12-13-24(28)36-23/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)(H,30,34)/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173916
(CHEMBL3809321)Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Cl)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C24H22ClN5O2S/c25-21-10-9-20(33-21)24(32)28-15-4-3-5-16(13-15)30-19-8-7-14(22(26)31)12-18(19)29-23(30)17-6-1-2-11-27-17/h1-2,6-12,15-16H,3-5,13H2,(H2,26,31)(H,28,32)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173933
(CHEMBL3808894)Show SMILES Brc1ccc(s1)C(=O)N[C@H]1CCC[C@H](C1)n1c(nc2cc(ccc12)C(=O)NC1CC1)-c1ccccn1 |r| Show InChI InChI=1S/C27H26BrN5O2S/c28-24-12-11-23(36-24)27(35)31-18-4-3-5-19(15-18)33-22-10-7-16(26(34)30-17-8-9-17)14-21(22)32-25(33)20-6-1-2-13-29-20/h1-2,6-7,10-14,17-19H,3-5,8-9,15H2,(H,30,34)(H,31,35)/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173925
(CHEMBL3808495)Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1cccnc1 |r| Show InChI InChI=1S/C24H22BrN5O2S/c25-21-9-8-20(33-21)24(32)28-16-4-1-5-17(12-16)30-19-7-6-14(22(26)31)11-18(19)29-23(30)15-3-2-10-27-13-15/h2-3,6-11,13,16-17H,1,4-5,12H2,(H2,26,31)(H,28,32)/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173921
(CHEMBL3809574)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1csc(C)n1 |r| Show InChI InChI=1S/C24H24BrN5O2S2/c1-13-27-18(12-33-13)22-29-17-10-14(23(31)26-2)6-7-19(17)30(22)16-5-3-4-15(11-16)28-24(32)20-8-9-21(25)34-20/h6-10,12,15-16H,3-5,11H2,1-2H3,(H,26,31)(H,28,32)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173931
(CHEMBL3808975)Show SMILES CC(C)NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C27H28BrN5O2S/c1-16(2)30-26(34)17-9-10-22-21(14-17)32-25(20-8-3-4-13-29-20)33(22)19-7-5-6-18(15-19)31-27(35)23-11-12-24(28)36-23/h3-4,8-14,16,18-19H,5-7,15H2,1-2H3,(H,30,34)(H,31,35)/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173920
(CHEMBL3808530)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1nccs1 |r| Show InChI InChI=1S/C23H22BrN5O2S2/c1-25-21(30)13-5-6-17-16(11-13)28-20(23-26-9-10-32-23)29(17)15-4-2-3-14(12-15)27-22(31)18-7-8-19(24)33-18/h5-11,14-15H,2-4,12H2,1H3,(H,25,30)(H,27,31)/t14-,15+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173937
(CHEMBL3809820)Show SMILES Brc1ccc(s1)C(=O)N[C@H]1CCC[C@H](C1)n1c(nc2ccccc12)-c1ccccn1 |r| Show InChI InChI=1S/C23H21BrN4OS/c24-21-12-11-20(30-21)23(29)26-15-6-5-7-16(14-15)28-19-10-2-1-8-17(19)27-22(28)18-9-3-4-13-25-18/h1-4,8-13,15-16H,5-7,14H2,(H,26,29)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173915
(CHEMBL3809792)Show SMILES Cc1ccc(s1)C(=O)N[C@H]1CCC[C@H](C1)n1c(nc2cc(ccc12)C(N)=O)-c1ccccn1 |r| Show InChI InChI=1S/C25H25N5O2S/c1-15-8-11-22(33-15)25(32)28-17-5-4-6-18(14-17)30-21-10-9-16(23(26)31)13-20(21)29-24(30)19-7-2-3-12-27-19/h2-3,7-13,17-18H,4-6,14H2,1H3,(H2,26,31)(H,28,32)/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173918
(CHEMBL3809916)Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(s3)C#N)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H22N6O2S/c26-14-18-8-10-22(34-18)25(33)29-16-4-3-5-17(13-16)31-21-9-7-15(23(27)32)12-20(21)30-24(31)19-6-1-2-11-28-19/h1-2,6-12,16-17H,3-5,13H2,(H2,27,32)(H,29,33)/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, cytosolic
(Homo sapiens (Human)) | BDBM50173939
(CHEMBL3809237)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1SC |r| Show InChI InChI=1S/C27H27BrN4O2S2/c1-29-26(33)16-10-11-21-20(14-16)31-25(19-8-3-4-9-22(19)35-2)32(21)18-7-5-6-17(15-18)30-27(34)23-12-13-24(28)36-23/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)(H,30,34)/t17-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of BCATc (unknown origin) |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173924
(CHEMBL3809704)Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccncc1 |r| Show InChI InChI=1S/C24H22BrN5O2S/c25-21-7-6-20(33-21)24(32)28-16-2-1-3-17(13-16)30-19-5-4-15(22(26)31)12-18(19)29-23(30)14-8-10-27-11-9-14/h4-12,16-17H,1-3,13H2,(H2,26,31)(H,28,32)/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173940
(CHEMBL3809515)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3cc(Br)c[nH]3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H25BrN6O2/c1-27-24(33)15-8-9-22-20(11-15)31-23(19-7-2-3-10-28-19)32(22)18-6-4-5-17(13-18)30-25(34)21-12-16(26)14-29-21/h2-3,7-12,14,17-18,29H,4-6,13H2,1H3,(H,27,33)(H,30,34)/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173930
(CHEMBL3808610)Show SMILES CN([C@H]1CCC[C@H](C1)n1c(nc2cc(ccc12)C(N)=O)-c1ccccn1)C(=O)c1ccc(Br)s1 |r| Show InChI InChI=1S/C25H24BrN5O2S/c1-30(25(33)21-10-11-22(26)34-21)16-5-4-6-17(14-16)31-20-9-8-15(23(27)32)13-19(20)29-24(31)18-7-2-3-12-28-18/h2-3,7-13,16-17H,4-6,14H2,1H3,(H2,27,32)/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
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)) | BDBM50173938
(CHEMBL3808493)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)n3C)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C26H27BrN6O2/c1-28-25(34)16-9-10-21-20(14-16)31-24(19-8-3-4-13-29-19)33(21)18-7-5-6-17(15-18)30-26(35)22-11-12-23(27)32(22)2/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,28,34)(H,30,35)/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173919
(CHEMBL3808453)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C23H23BrN6O2S/c1-25-22(31)13-5-6-18-17(11-13)28-21(16-9-10-26-29-16)30(18)15-4-2-3-14(12-15)27-23(32)19-7-8-20(24)33-19/h5-11,14-15H,2-4,12H2,1H3,(H,25,31)(H,26,29)(H,27,32)/t14-,15+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
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)) | BDBM50173988
(CHEMBL3809941)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3cnc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C24H23BrN6O2S/c1-26-22(32)14-8-9-19-18(11-14)30-21(17-7-2-3-10-27-17)31(19)16-6-4-5-15(12-16)29-23(33)20-13-28-24(25)34-20/h2-3,7-11,13,15-16H,4-6,12H2,1H3,(H,26,32)(H,29,33)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
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, cytosolic
(Homo sapiens (Human)) | BDBM50173927
(CHEMBL3808902)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H24BrN5O2S/c1-27-24(32)15-8-9-20-19(13-15)30-23(18-7-2-3-12-28-18)31(20)17-6-4-5-16(14-17)29-25(33)21-10-11-22(26)34-21/h2-3,7-13,16-17H,4-6,14H2,1H3,(H,27,32)(H,29,33)/t16-,17+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of BCATc (unknown origin) |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173934
(CHEMBL3809651)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3cc(Cl)no3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C24H23ClN6O3/c1-26-23(32)14-8-9-19-18(11-14)29-22(17-7-2-3-10-27-17)31(19)16-6-4-5-15(12-16)28-24(33)20-13-21(25)30-34-20/h2-3,7-11,13,15-16H,4-6,12H2,1H3,(H,26,32)(H,28,33)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
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)) | BDBM50173932
(CHEMBL3809727)Show SMILES CN(C)C(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C26H26BrN5O2S/c1-31(2)26(34)16-9-10-21-20(14-16)30-24(19-8-3-4-13-28-19)32(21)18-7-5-6-17(15-18)29-25(33)22-11-12-23(27)35-22/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173946
(CHEMBL3809828)Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NS(=O)(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C23H22BrN5O3S2/c24-20-9-10-21(33-20)34(31,32)28-15-4-3-5-16(13-15)29-19-8-7-14(22(25)30)12-18(19)27-23(29)17-6-1-2-11-26-17/h1-2,6-12,15-16,28H,3-5,13H2,(H2,25,30)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173937
(CHEMBL3809820)Show SMILES Brc1ccc(s1)C(=O)N[C@H]1CCC[C@H](C1)n1c(nc2ccccc12)-c1ccccn1 |r| Show InChI InChI=1S/C23H21BrN4OS/c24-21-12-11-20(30-21)23(29)26-15-6-5-7-16(14-15)28-19-10-2-1-8-17(19)27-22(28)18-9-3-4-13-25-18/h1-4,8-13,15-16H,5-7,14H2,(H,26,29)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
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)) | 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 | |
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)) | 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 | |