Found 8 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 |
|---|
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50400269
(CHEMBL2180730)Show SMILES Cc1ccccc1C(N(C(=O)Cc1cccs1)c1cccc(F)c1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C27H29FN2O2S/c1-19-9-5-6-15-24(19)26(27(32)29-21-11-3-2-4-12-21)30(22-13-7-10-20(28)17-22)25(31)18-23-14-8-16-33-23/h5-10,13-17,21,26H,2-4,11-12,18H2,1H3,(H,29,32) | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysis |
ACS Med Chem Lett 3: 850-855 (2012)
Article DOI: 10.1021/ml300225h
BindingDB Entry DOI: 10.7270/Q2X92CF7 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50400268
(CHEMBL2180740)Show SMILES Cc1ccccc1C(N(C(=O)Cc1c[nH]c2ccccc12)c1cccc(F)c1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C31H32FN3O2/c1-21-10-5-6-15-26(21)30(31(37)34-24-12-3-2-4-13-24)35(25-14-9-11-23(32)19-25)29(36)18-22-20-33-28-17-8-7-16-27(22)28/h5-11,14-17,19-20,24,30,33H,2-4,12-13,18H2,1H3,(H,34,37) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysis |
ACS Med Chem Lett 3: 850-855 (2012)
Article DOI: 10.1021/ml300225h
BindingDB Entry DOI: 10.7270/Q2X92CF7 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50400267
(CHEMBL2180746)Show SMILES Cc1ccccc1C(N(C(=O)Cc1cccs1)c1cccc(F)c1)C(=O)NC1CCCC1 Show InChI InChI=1S/C26H27FN2O2S/c1-18-8-2-5-14-23(18)25(26(31)28-20-10-3-4-11-20)29(21-12-6-9-19(27)16-21)24(30)17-22-13-7-15-32-22/h2,5-9,12-16,20,25H,3-4,10-11,17H2,1H3,(H,28,31) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysis |
ACS Med Chem Lett 3: 850-855 (2012)
Article DOI: 10.1021/ml300225h
BindingDB Entry DOI: 10.7270/Q2X92CF7 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50400266
(CHEMBL2180739)Show SMILES Cc1ccccc1C(N(C(=O)Cc1ccncc1)c1cccc(F)c1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C28H30FN3O2/c1-20-8-5-6-13-25(20)27(28(34)31-23-10-3-2-4-11-23)32(24-12-7-9-22(29)19-24)26(33)18-21-14-16-30-17-15-21/h5-9,12-17,19,23,27H,2-4,10-11,18H2,1H3,(H,31,34) | PDB
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PubMed
| n/a | n/a | 1.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysis |
ACS Med Chem Lett 3: 850-855 (2012)
Article DOI: 10.1021/ml300225h
BindingDB Entry DOI: 10.7270/Q2X92CF7 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50400265
(CHEMBL2180738)Show SMILES Cc1ccccc1C(N(C(=O)Cc1cscn1)c1cccc(F)c1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C26H28FN3O2S/c1-18-8-5-6-13-23(18)25(26(32)29-20-10-3-2-4-11-20)30(22-12-7-9-19(27)14-22)24(31)15-21-16-33-17-28-21/h5-9,12-14,16-17,20,25H,2-4,10-11,15H2,1H3,(H,29,32) | PDB
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PC cid
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UniChem
| Article
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| n/a | n/a | 1.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysis |
ACS Med Chem Lett 3: 850-855 (2012)
Article DOI: 10.1021/ml300225h
BindingDB Entry DOI: 10.7270/Q2X92CF7 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50400272
(CHEMBL2180727)Show SMILES Cc1nccn1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 Show InChI InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34) | PDB
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CHEMBL
MCE
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysis |
ACS Med Chem Lett 3: 850-855 (2012)
Article DOI: 10.1021/ml300225h
BindingDB Entry DOI: 10.7270/Q2X92CF7 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50400270
(CHEMBL2180729)Show SMILES Cc1ccccc1C(N(C(=O)Cn1ccc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C31H32FN3O2/c1-22-10-5-7-16-27(22)30(31(37)33-25-13-3-2-4-14-25)35(26-15-9-12-24(32)20-26)29(36)21-34-19-18-23-11-6-8-17-28(23)34/h5-12,15-20,25,30H,2-4,13-14,21H2,1H3,(H,33,37) | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysis |
ACS Med Chem Lett 3: 850-855 (2012)
Article DOI: 10.1021/ml300225h
BindingDB Entry DOI: 10.7270/Q2X92CF7 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50400271
(CHEMBL2180728)Show SMILES Cc1nc2ccccc2n1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 Show InChI InChI=1S/C31H33FN4O2/c1-21-11-6-7-16-26(21)30(31(38)34-24-13-4-3-5-14-24)36(25-15-10-12-23(32)19-25)29(37)20-35-22(2)33-27-17-8-9-18-28(27)35/h6-12,15-19,24,30H,3-5,13-14,20H2,1-2H3,(H,34,38) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysis |
ACS Med Chem Lett 3: 850-855 (2012)
Article DOI: 10.1021/ml300225h
BindingDB Entry DOI: 10.7270/Q2X92CF7 |
More data for this
Ligand-Target Pair | |
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