Found 70 hits Enz. Inhib. hit(s) with all data for entry = 11212 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 [R132C]
(Homo sapiens (Human)) | BDBM600744
(US11629156, Example 12)Show SMILES CC[C@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 0 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM497343
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM497343
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.76 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM497335
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1 | PDB
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PC cid
PC sid
UniChem
| | n/a | n/a | 3.71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM497334
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM497348
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 4.91 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM497348
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.05 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM600740
(US11629156, Example 7)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <5.08 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM600741
(US11629156, Example 8)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <5.08 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM600741
(US11629156, Example 8)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <5.08 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM497334
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 5.69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM497335
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1 | PDB
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| | n/a | n/a | 6.27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM600740
(US11629156, Example 7)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM497351
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)Show SMILES C[C@H](Nc1cc2N(C)C(=O)OCc2cn1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C28H35N5O3/c1-4-27(34)33-13-11-32(12-14-33)25(15-20-5-6-20)22-9-7-21(8-10-22)19(2)30-26-16-24-23(17-29-26)18-36-28(35)31(24)3/h4,7-10,16-17,19-20,25H,1,5-6,11-15,18H2,2-3H3,(H,29,30)/t19-,25?/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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| | n/a | n/a | 7.43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM600742
(US11629156, Example 4)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 8.69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM497353
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 9.78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM497337
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| | n/a | n/a | 11.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
(Homo sapiens (Human)) | BDBM497335
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1 | PDB
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UniProtKB/SwissProt
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| | n/a | n/a | 11.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM600752
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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UniChem
| | n/a | n/a | 12.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM600742
(US11629156, Example 4)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 13.7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM600743
(US11629156, Example 10)Show SMILES C[C@H](Nc1cc2N(C)C(=O)OCc2cn1)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 13.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM497351
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)Show SMILES C[C@H](Nc1cc2N(C)C(=O)OCc2cn1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C28H35N5O3/c1-4-27(34)33-13-11-32(12-14-33)25(15-20-5-6-20)22-9-7-21(8-10-22)19(2)30-26-16-24-23(17-29-26)18-36-28(35)31(24)3/h4,7-10,16-17,19-20,25H,1,5-6,11-15,18H2,2-3H3,(H,29,30)/t19-,25?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 15.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM497337
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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UniChem
| | n/a | n/a | 15.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
(Homo sapiens (Human)) | BDBM497337
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1 | PDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM497353
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1 | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM600743
(US11629156, Example 10)Show SMILES C[C@H](Nc1cc2N(C)C(=O)OCc2cn1)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM600752
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
(Homo sapiens (Human)) | BDBM600741
(US11629156, Example 8)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
(Homo sapiens (Human)) | BDBM600753
(1-Ethyl-7-[[(1S)-1-[4-[3- methoxy-1-(4-prop-2- eno...)Show SMILES CCN1C(=O)OCc2cnc(N[C@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM600753
(1-Ethyl-7-[[(1S)-1-[4-[3- methoxy-1-(4-prop-2- eno...)Show SMILES CCN1C(=O)OCc2cnc(N[C@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
(Homo sapiens (Human)) | BDBM497353
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1 | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
(Homo sapiens (Human)) | BDBM600740
(US11629156, Example 7)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
(Homo sapiens (Human)) | BDBM600744
(US11629156, Example 12)Show SMILES CC[C@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
(Homo sapiens (Human)) | BDBM600742
(US11629156, Example 4)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
(Homo sapiens (Human)) | BDBM600744
(US11629156, Example 12)Show SMILES CC[C@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
(Homo sapiens (Human)) | BDBM497334
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1 | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497335
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1 | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
(Homo sapiens (Human)) | BDBM600752
(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM600741
(US11629156, Example 8)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497353
(1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylp...)Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| Show InChI InChI=1S/C26H34N6O3/c1-5-22(30-12-14-31(15-13-30)23(33)6-2)20-10-8-19(9-11-20)18(4)28-25-27-16-21-17-35-26(34)32(7-3)24(21)29-25/h6,8-11,16,18,22H,2,5,7,12-15,17H2,1,3-4H3,(H,27,28,29)/t18-,22?/m0/s1 | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM497348
(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H38N6O3/c1-6-25(35)33-14-12-32(13-15-33)24(16-19(3)4)22-10-8-21(9-11-22)20(5)30-27-29-17-23-18-37-28(36)34(7-2)26(23)31-27/h6,8-11,17,19-20,24H,1,7,12-16,18H2,2-5H3,(H,29,30,31)/t20-,24?/m0/s1 | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497337
(7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C27H34N6O3/c1-4-24(34)33-13-11-32(12-14-33)23(15-19-5-6-19)21-9-7-20(8-10-21)18(2)29-26-28-16-22-17-36-27(35)31(3)25(22)30-26/h4,7-10,16,18-19,23H,1,5-6,11-15,17H2,2-3H3,(H,28,29,30)/t18-,23?/m0/s1 | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM600740
(US11629156, Example 7)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM600742
(US11629156, Example 4)Show SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM497334
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1 | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM497335
(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1 | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM497334
(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| Show InChI InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24+/m0/s1 | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
(Homo sapiens (Human)) | BDBM600744
(US11629156, Example 12)Show SMILES CC[C@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
(Homo sapiens (Human)) | BDBM600753
(1-Ethyl-7-[[(1S)-1-[4-[3- methoxy-1-(4-prop-2- eno...)Show SMILES CCN1C(=O)OCc2cnc(N[C@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
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UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM600740
(US11629156, Example 7)Show SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MK6HT9 |
More data for this
Ligand-Target Pair | |
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