Found 58 hits with Last Name = 'mcdermott' and Initial = 'la' 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 |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50363958
(CHEMBL1952211)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@H]2CC[C@H](O)C2)C1=O |r| Show InChI InChI=1S/C24H25N5O3/c1-32-21-11-8-18(9-12-21)28-15-16-14-25-23(26-17-5-3-2-4-6-17)27-22(16)29(24(28)31)19-7-10-20(30)13-19/h2-6,8-9,11-12,14,19-20,30H,7,10,13,15H2,1H3,(H,25,26,27)/t19-,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant EE-tagged intracellular domain of KDR using biotin-EEEEYFELVAKKKK as substrate by HTRF assay |
Bioorg Med Chem 13: 4835-41 (2005)
Article DOI: 10.1016/j.bmc.2005.05.012 BindingDB Entry DOI: 10.7270/Q2H41RWS |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150108
(CHEMBL3770617)Show SMILES O=C(Cc1ccccc1)Nc1nnc(NC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C25H26N8O2S2/c34-20(15-17-7-3-1-4-8-17)27-23-30-29-22(36-23)26-19-11-13-33(14-12-19)25-32-31-24(37-25)28-21(35)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,26,29)(H,27,30,34)(H,28,31,35) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149988
(CHEMBL3770945)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C25H27BrN6O5S/c1-28-12-13-29-25(35)20(14-23(33)32-22-11-10-18(26)15-30-22)31-24(34)17-8-6-16(7-9-17)19-4-2-3-5-21(19)38(27,36)37/h2-11,15,20,28H,12-14H2,1H3,(H,29,35)(H,31,34)(H2,27,36,37)(H,30,32,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149986
(CHEMBL3770889)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C25H27BrN6O5S/c1-32(2)15-24(34)30-20(13-23(33)31-22-12-9-17(26)14-28-22)25(35)29-18-10-7-16(8-11-18)19-5-3-4-6-21(19)38(27,36)37/h3-12,14,20H,13,15H2,1-2H3,(H,29,35)(H,30,34)(H2,27,36,37)(H,28,31,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150062
(CHEMBL3769896)Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Nc1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C22H26N8O2S2/c31-17(12-14-4-2-1-3-5-14)24-20-27-26-19(33-20)23-16-8-10-30(11-9-16)22-29-28-21(34-22)25-18(32)13-15-6-7-15/h1-5,15-16H,6-13H2,(H,23,26)(H,24,27,31)(H,25,28,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150109
(CHEMBL3770355)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C24H24N8O2S2/c33-19(13-16-7-3-1-4-8-16)26-22-29-28-21(35-22)25-18-11-12-32(15-18)24-31-30-23(36-24)27-20(34)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,28)(H,26,29,33)(H,27,30,34)/t18-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150066
(CHEMBL3771319)Show SMILES O=C(Cc1ccccc1)Nc1nnc(s1)N1CCC(CC1)Oc1ccc(NC(=O)Cc2ccccc2)nn1 Show InChI InChI=1S/C27H27N7O3S/c35-23(17-19-7-3-1-4-8-19)28-22-11-12-25(31-30-22)37-21-13-15-34(16-14-21)27-33-32-26(38-27)29-24(36)18-20-9-5-2-6-10-20/h1-12,21H,13-18H2,(H,28,30,35)(H,29,32,36) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149985
(CHEMBL3769701)Show SMILES O=C(Cc1ccccc1)Nc1nnc(O[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C21H19ClN4O4S/c22-15-7-10-19(24-13-15)26-21(28)12-11-20(27)25-16-8-5-14(6-9-16)17-3-1-2-4-18(17)31(23,29)30/h1-10,13H,11-12H2,(H,25,27)(H2,23,29,30)(H,24,26,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149984
(CHEMBL3769593)Show SMILES O=C(Cc1ccccc1)Nc1nnc(O[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C26H27BrN6O5S/c27-19-9-10-23(30-16-19)32-24(34)15-21(26(36)33-13-11-29-12-14-33)31-25(35)18-7-5-17(6-8-18)20-3-1-2-4-22(20)39(28,37)38/h1-10,16,21,29H,11-15H2,(H,31,35)(H2,28,37,38)(H,30,32,34) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50363957
(CHEMBL1952210)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@@H]2CC[C@@H](O)C2)C1=O |r| Show InChI InChI=1S/C24H25N5O3/c1-32-21-11-8-18(9-12-21)28-15-16-14-25-23(26-17-5-3-2-4-6-17)27-22(16)29(24(28)31)19-7-10-20(30)13-19/h2-6,8-9,11-12,14,19-20,30H,7,10,13,15H2,1H3,(H,25,26,27)/t19-,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant EE-tagged intracellular domain of KDR using biotin-EEEEYFELVAKKKK as substrate by HTRF assay |
Bioorg Med Chem 13: 4835-41 (2005)
Article DOI: 10.1016/j.bmc.2005.05.012 BindingDB Entry DOI: 10.7270/Q2H41RWS |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50363957
(CHEMBL1952210)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@@H]2CC[C@@H](O)C2)C1=O |r| Show InChI InChI=1S/C24H25N5O3/c1-32-21-11-8-18(9-12-21)28-15-16-14-25-23(26-17-5-3-2-4-6-17)27-22(16)29(24(28)31)19-7-10-20(30)13-19/h2-6,8-9,11-12,14,19-20,30H,7,10,13,15H2,1H3,(H,25,26,27)/t19-,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant EE-tagged intracellular domain of KDR using biotin-EEEEYFELVAKKKK as substrate by HTRF assay |
Bioorg Med Chem 13: 4835-41 (2005)
Article DOI: 10.1016/j.bmc.2005.05.012 BindingDB Entry DOI: 10.7270/Q2H41RWS |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50182212
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human KDR |
Bioorg Med Chem Lett 16: 1950-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.092 BindingDB Entry DOI: 10.7270/Q2S46SRS |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150111
(CHEMBL3771020)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@H]2CC[C@@H](C2)Nc2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C25H26N8O2S2/c34-20(13-16-7-3-1-4-8-16)28-24-32-30-22(36-24)26-18-11-12-19(15-18)27-23-31-33-25(37-23)29-21(35)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,26,30)(H,27,31)(H,28,32,34)(H,29,33,35)/t18-,19-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149983
(CHEMBL3769936)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C27H28BrN5O5S/c28-19-13-14-24(30-16-19)33-25(34)15-22(27(36)31-20-5-1-2-6-20)32-26(35)18-11-9-17(10-12-18)21-7-3-4-8-23(21)39(29,37)38/h3-4,7-14,16,20,22H,1-2,5-6,15H2,(H,31,36)(H,32,35)(H2,29,37,38)(H,30,33,34) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150110
(CHEMBL3771098)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C24H24N8O2S2/c33-19(13-16-7-3-1-4-8-16)26-22-29-28-21(35-22)25-18-11-12-32(15-18)24-31-30-23(36-24)27-20(34)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,28)(H,26,29,33)(H,27,30,34)/t18-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Platelet-derived growth factor receptor alpha/beta
(Homo sapiens (Human)) | BDBM50182212
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human PDGFR |
Bioorg Med Chem Lett 16: 1950-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.092 BindingDB Entry DOI: 10.7270/Q2S46SRS |
More data for this Ligand-Target Pair | |
Fibroblast growth factor receptor 1/2/3/4
(Homo sapiens (Human)) | BDBM50182212
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human FGFR |
Bioorg Med Chem Lett 16: 1950-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.092 BindingDB Entry DOI: 10.7270/Q2S46SRS |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150705
(CHEMBL3770102)Show SMILES O=C(Cc1ccccc1)Nc1ccc(OC2CCN(CC2)c2ccc(NC(=O)Cc3ccccc3)nn2)nn1 Show InChI InChI=1S/C29H29N7O3/c37-27(19-21-7-3-1-4-8-21)30-24-11-13-26(34-32-24)36-17-15-23(16-18-36)39-29-14-12-25(33-35-29)31-28(38)20-22-9-5-2-6-10-22/h1-14,23H,15-20H2,(H,30,32,37)(H,31,33,38) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149992
(CHEMBL3769897)Show SMILES O=C(CC1CC1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)CC3CC3)s2)s1 Show InChI InChI=1S/C23H22BrN5O5S/c1-14(30)28-19(23(32)29-21-11-10-17(24)12-26-21)13-27-22(31)16-8-6-15(7-9-16)18-4-2-3-5-20(18)35(25,33)34/h2-12,19H,13H2,1H3,(H,27,31)(H,28,30)(H2,25,33,34)(H,26,29,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM109086
(US10793535, Cmpd ID 727 | US8604016, 670 | US99382...)Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149990
(CHEMBL3770229)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OCC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C27H31BrN6O5S/c1-33(2)14-15-34(3)27(37)22(16-25(35)32-24-13-12-20(28)17-30-24)31-26(36)19-10-8-18(9-11-19)21-6-4-5-7-23(21)40(29,38)39/h4-13,17,22H,14-16H2,1-3H3,(H,31,36)(H2,29,38,39)(H,30,32,35) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150018
(CHEMBL3769551)Show SMILES Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C17H19N7O2S2/c18-14-20-22-16(27-14)24-8-6-12(7-9-24)26-17-23-21-15(28-17)19-13(25)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,18,20)(H,19,21,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150019
(CHEMBL3769973)Show SMILES Nc1nnc(s1)N1CC(C1)Nc1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C15H16N8OS2/c16-12-19-22-15(25-12)23-7-10(8-23)17-13-20-21-14(26-13)18-11(24)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,16,19)(H,17,20)(H,18,21,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 227 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50363957
(CHEMBL1952210)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@@H]2CC[C@@H](O)C2)C1=O |r| Show InChI InChI=1S/C24H25N5O3/c1-32-21-11-8-18(9-12-21)28-15-16-14-25-23(26-17-5-3-2-4-6-17)27-22(16)29(24(28)31)19-7-10-20(30)13-19/h2-6,8-9,11-12,14,19-20,30H,7,10,13,15H2,1H3,(H,25,26,27)/t19-,20-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged intracellular domain of EGFR using biotin-EEEEYFELV as substrate by HTRF assay |
Bioorg Med Chem 13: 4835-41 (2005)
Article DOI: 10.1016/j.bmc.2005.05.012 BindingDB Entry DOI: 10.7270/Q2H41RWS |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50363957
(CHEMBL1952210)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@@H]2CC[C@@H](O)C2)C1=O |r| Show InChI InChI=1S/C24H25N5O3/c1-32-21-11-8-18(9-12-21)28-15-16-14-25-23(26-17-5-3-2-4-6-17)27-22(16)29(24(28)31)19-7-10-20(30)13-19/h2-6,8-9,11-12,14,19-20,30H,7,10,13,15H2,1H3,(H,25,26,27)/t19-,20-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged intracellular domain of EGFR using biotin-EEEEYFELV as substrate by HTRF assay |
Bioorg Med Chem 13: 4835-41 (2005)
Article DOI: 10.1016/j.bmc.2005.05.012 BindingDB Entry DOI: 10.7270/Q2H41RWS |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50363957
(CHEMBL1952210)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@@H]2CC[C@@H](O)C2)C1=O |r| Show InChI InChI=1S/C24H25N5O3/c1-32-21-11-8-18(9-12-21)28-15-16-14-25-23(26-17-5-3-2-4-6-17)27-22(16)29(24(28)31)19-7-10-20(30)13-19/h2-6,8-9,11-12,14,19-20,30H,7,10,13,15H2,1H3,(H,25,26,27)/t19-,20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 322 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of Fyn by IMAP assay |
Bioorg Med Chem 13: 4835-41 (2005)
Article DOI: 10.1016/j.bmc.2005.05.012 BindingDB Entry DOI: 10.7270/Q2H41RWS |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50363958
(CHEMBL1952211)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@H]2CC[C@H](O)C2)C1=O |r| Show InChI InChI=1S/C24H25N5O3/c1-32-21-11-8-18(9-12-21)28-15-16-14-25-23(26-17-5-3-2-4-6-17)27-22(16)29(24(28)31)19-7-10-20(30)13-19/h2-6,8-9,11-12,14,19-20,30H,7,10,13,15H2,1H3,(H,25,26,27)/t19-,20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 365 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged intracellular domain of EGFR using biotin-EEEEYFELV as substrate by HTRF assay |
Bioorg Med Chem 13: 4835-41 (2005)
Article DOI: 10.1016/j.bmc.2005.05.012 BindingDB Entry DOI: 10.7270/Q2H41RWS |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50400050
(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 371 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50182212
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 466 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Fyn |
Bioorg Med Chem Lett 16: 1950-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.092 BindingDB Entry DOI: 10.7270/Q2S46SRS |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149987
(CHEMBL3770357)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C27H32BrN7O3/c1-33(2)18-24-29-12-15-35(24)21-9-6-19(7-10-21)26(37)31-22(27(38)34-13-4-3-5-14-34)16-25(36)32-23-11-8-20(28)17-30-23/h6-12,15,17,22H,3-5,13-14,16,18H2,1-2H3,(H,31,37)(H,30,32,36)/t22-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150015
(CHEMBL3770218)Show SMILES Nc1nnc(s1)N1CC(C1)Oc1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C15H15N7O2S2/c16-12-18-20-14(25-12)22-7-10(8-22)24-15-21-19-13(26-15)17-11(23)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,16,18)(H,17,19,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182212
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 545 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human EGFR |
Bioorg Med Chem Lett 16: 1950-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.092 BindingDB Entry DOI: 10.7270/Q2S46SRS |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149982
(CHEMBL3769558)Show SMILES CC(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nnc(NC(C)=O)s2)s1 |r| Show InChI InChI=1S/C32H36BrN5O4/c33-26-12-13-29(34-21-26)36-30(39)20-28(32(41)38-14-4-1-5-15-38)35-31(40)24-10-8-23(9-11-24)27-7-3-2-6-25(27)22-37-16-18-42-19-17-37/h2-3,6-13,21,28H,1,4-5,14-20,22H2,(H,35,40)(H,34,36,39)/t28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149989
(CHEMBL3770066)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C21H20ClN3O5S2/c22-17-9-11-18(12-10-17)32(29,30)25-14-13-24-21(26)16-7-5-15(6-8-16)19-3-1-2-4-20(19)31(23,27)28/h1-12,25H,13-14H2,(H,24,26)(H2,23,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149991
(CHEMBL3771046)Show SMILES CC(=O)Nc1nnc(OC2CCN(CC2)c2nnc(NC(C)=O)s2)s1 Show InChI InChI=1S/C21H20BrN5O4S/c22-15-9-10-19(25-11-15)27-21(29)17(23)12-26-20(28)14-7-5-13(6-8-14)16-3-1-2-4-18(16)32(24,30)31/h1-11,17H,12,23H2,(H,26,28)(H2,24,30,31)(H,25,27,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ephrin type-B receptor 3
(Homo sapiens (Human)) | BDBM50363957
(CHEMBL1952210)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@@H]2CC[C@@H](O)C2)C1=O |r| Show InChI InChI=1S/C24H25N5O3/c1-32-21-11-8-18(9-12-21)28-15-16-14-25-23(26-17-5-3-2-4-6-17)27-22(16)29(24(28)31)19-7-10-20(30)13-19/h2-6,8-9,11-12,14,19-20,30H,7,10,13,15H2,1H3,(H,25,26,27)/t19-,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of EphB3 |
Bioorg Med Chem 13: 4835-41 (2005)
Article DOI: 10.1016/j.bmc.2005.05.012 BindingDB Entry DOI: 10.7270/Q2H41RWS |
More data for this Ligand-Target Pair | |
Ephrin type-B receptor 3
(Homo sapiens (Human)) | BDBM50182212
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against EphB3 |
Bioorg Med Chem Lett 16: 1950-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.092 BindingDB Entry DOI: 10.7270/Q2S46SRS |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150017
(CHEMBL3771176)Show SMILES Nc1nnc(s1)N1CC[C@H](C1)Oc1nnc(NC(=O)Cc2ccccc2)s1 |r| Show InChI InChI=1S/C16H17N7O2S2/c17-13-19-21-15(26-13)23-7-6-11(9-23)25-16-22-20-14(27-16)18-12(24)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,17,19)(H,18,20,24)/t11-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50363957
(CHEMBL1952210)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@@H]2CC[C@@H](O)C2)C1=O |r| Show InChI InChI=1S/C24H25N5O3/c1-32-21-11-8-18(9-12-21)28-15-16-14-25-23(26-17-5-3-2-4-6-17)27-22(16)29(24(28)31)19-7-10-20(30)13-19/h2-6,8-9,11-12,14,19-20,30H,7,10,13,15H2,1H3,(H,25,26,27)/t19-,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of ERK2 by IMAP assay |
Bioorg Med Chem 13: 4835-41 (2005)
Article DOI: 10.1016/j.bmc.2005.05.012 BindingDB Entry DOI: 10.7270/Q2H41RWS |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150067
(CHEMBL3771225)Show SMILES O=C(Cc1ccccc1)Nc1nnc(s1)N1CCN(CC1)c1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C24H24N8O2S2/c33-19(15-17-7-3-1-4-8-17)25-21-27-29-23(35-21)31-11-13-32(14-12-31)24-30-28-22(36-24)26-20(34)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,27,33)(H,26,28,34) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150065
(CHEMBL3770713)Show SMILES O=C(Cc1ccccc1)Nc1nnc(s1)N1CCCN(CC1)c1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C25H26N8O2S2/c34-20(16-18-8-3-1-4-9-18)26-22-28-30-24(36-22)32-12-7-13-33(15-14-32)25-31-29-23(37-25)27-21(35)17-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H,26,28,34)(H,27,29,35) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150703
(CHEMBL3770921)Show SMILES O=C(Cc1ccccc1)Nc1ccc(OC2CCN(CC2)c2ccc(NC(=O)Cc3ccccc3)nc2)cn1 Show InChI InChI=1S/C31H31N5O3/c37-30(19-23-7-3-1-4-8-23)34-28-13-11-25(21-32-28)36-17-15-26(16-18-36)39-27-12-14-29(33-22-27)35-31(38)20-24-9-5-2-6-10-24/h1-14,21-22,26H,15-20H2,(H,32,34,37)(H,33,35,38) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150660
(CHEMBL3769604)Show SMILES O=C(Cc1ccccc1)Nc1cnc(OC2CCN(CC2)c2cnc(NC(=O)Cc3ccccc3)cn2)cn1 Show InChI InChI=1S/C29H29N7O3/c37-27(15-21-7-3-1-4-8-21)34-24-17-32-26(19-30-24)36-13-11-23(12-14-36)39-29-20-31-25(18-33-29)35-28(38)16-22-9-5-2-6-10-22/h1-10,17-20,23H,11-16H2,(H,30,34,37)(H,31,35,38) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150659
(CHEMBL3770563)Show SMILES O=C(Cc1ccccc1)Nc1ccc(OC2CCN(CC2)c2ccc(NC(=O)Cc3ccccc3)cn2)nc1 Show InChI InChI=1S/C31H31N5O3/c37-29(19-23-7-3-1-4-8-23)34-25-11-13-28(32-21-25)36-17-15-27(16-18-36)39-31-14-12-26(22-33-31)35-30(38)20-24-9-5-2-6-10-24/h1-14,21-22,27H,15-20H2,(H,34,37)(H,35,38) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150658
(CHEMBL3769544)Show SMILES O=C(Cc1ccccc1)Nc1ccc(OC2CCN(CC2)c2ccc(NC(=O)Cc3ccccc3)nc2)nc1 Show InChI InChI=1S/C31H31N5O3/c37-29(19-23-7-3-1-4-8-23)34-25-11-14-31(33-21-25)39-27-15-17-36(18-16-27)26-12-13-28(32-22-26)35-30(38)20-24-9-5-2-6-10-24/h1-14,21-22,27H,15-20H2,(H,34,37)(H,32,35,38) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150661
(CHEMBL3770033)Show SMILES CC(=O)Nc1nnc(N[C@H]2CCN(C2)c2nnc(NC(C)=O)s2)s1 |r| Show InChI InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50182212
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against PKA |
Bioorg Med Chem Lett 16: 1950-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.092 BindingDB Entry DOI: 10.7270/Q2S46SRS |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150016
(CHEMBL3769448)Show SMILES Nc1nnc(s1)N1CC[C@@H](C1)Oc1nnc(NC(=O)Cc2ccccc2)s1 |r| Show InChI InChI=1S/C16H17N7O2S2/c17-13-19-21-15(26-13)23-7-6-11(9-23)25-16-22-20-14(27-16)18-12(24)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,17,19)(H,18,20,24)/t11-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50182212
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Erk2 |
Bioorg Med Chem Lett 16: 1950-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.092 BindingDB Entry DOI: 10.7270/Q2S46SRS |
More data for this Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50182212
(7-(4-fluorophenylamino)-1-((1S,3R)-3-hydroxycyclop...)Show SMILES COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O Show InChI InChI=1S/C24H24FN5O3/c1-33-21-10-7-18(8-11-21)29-14-15-13-26-23(27-17-4-2-16(25)3-5-17)28-22(15)30(24(29)32)19-6-9-20(31)12-19/h2-5,7-8,10-11,13,19-20,31H,6,9,12,14H2,1H3,(H,26,27,28)/t19?,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against PKC delta |
Bioorg Med Chem Lett 16: 1950-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.092 BindingDB Entry DOI: 10.7270/Q2S46SRS |
More data for this Ligand-Target Pair | |