Found 70 hits with Last Name = 'hollingsworth' and Initial = 'i' 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 |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50222489
((R)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C26H26ClN5O4/c1-17(13-32(2)24(34)14-33)36-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)35-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222495
((S)-1-(2-((4-(3-chloro-4-(pyridin-2-ylmethoxy)phen...)Show SMILES OCC(=O)N1CCC[C@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C27H26ClN5O4/c28-21-13-18(9-10-23(21)36-15-19-5-1-2-11-29-19)32-27-26-22(30-17-31-27)7-3-8-24(26)37-16-20-6-4-12-33(20)25(35)14-34/h1-3,5,7-11,13,17,20,34H,4,6,12,14-16H2,(H,30,31,32)/t20-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 kinase |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50222493
((R)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222491
(CHEMBL249928 | N-(2-(4-(3-chloro-4-(pyridin-2-ylme...)Show SMILES CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO Show InChI InChI=1S/C25H24ClN5O4/c1-31(23(33)14-32)11-12-34-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17)35-15-18-5-2-3-10-27-18/h2-10,13,16,32H,11-12,14-15H2,1H3,(H,28,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 kinase |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514979
(CHEMBL4457936)Show SMILES O=C(CC1CCOCC1)Nc1nnc(s1)N1CC[C@H](C1)Nc1nnc(NC(=O)Cc2ccccc2)s1 |r| Show InChI InChI=1S/C23H28N8O3S2/c32-18(12-15-4-2-1-3-5-15)25-21-28-27-20(35-21)24-17-6-9-31(14-17)23-30-29-22(36-23)26-19(33)13-16-7-10-34-11-8-16/h1-5,16-17H,6-14H2,(H,24,27)(H,25,28,32)(H,26,29,33)/t17-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514986
(CHEMBL4437956)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCC[C@H]2Nc2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C25H26N8O2S2/c34-20(14-16-8-3-1-4-9-16)28-24-32-30-22(36-24)26-18-12-7-13-19(18)27-23-31-33-25(37-23)29-21(35)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,30)(H,27,31)(H,28,32,34)(H,29,33,35)/t18-,19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514985
(CHEMBL4573635)Show SMILES C[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N7OS/c1-13(14-6-3-2-4-7-14)17(27)22-19-25-24-18(28-19)21-15-9-11-26(12-15)16-8-5-10-20-23-16/h2-8,10,13,15H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222493
((R)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Erb2 autophosphorylation by cellular clone 24 assay |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222489
((R)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C26H26ClN5O4/c1-17(13-32(2)24(34)14-33)36-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)35-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Erb2 autophosphorylation by cellular clone 24 assay |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514975
(CHEMBL4473143)Show SMILES O=C(Cc1ccccc1)Nc1nnc(NC[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C25H26N8O2S2/c34-20(13-17-7-3-1-4-8-17)27-23-30-29-22(36-23)26-15-19-11-12-33(16-19)25-32-31-24(37-25)28-21(35)14-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,26,29)(H,27,30,34)(H,28,31,35)/t19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514977
(CHEMBL4461749)Show SMILES O=C(Cc1ccccc1)Nc1nnc(NCCNc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C22H22N8O2S2/c31-17(13-15-7-3-1-4-8-15)25-21-29-27-19(33-21)23-11-12-24-20-28-30-22(34-20)26-18(32)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,27)(H,24,28)(H,25,29,31)(H,26,30,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514982
(CHEMBL4469711)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r| Show InChI InChI=1S/C18H19N7OS/c26-16(11-13-5-2-1-3-6-13)21-18-24-23-17(27-18)20-14-8-10-25(12-14)15-7-4-9-19-22-15/h1-7,9,14H,8,10-12H2,(H,20,23)(H,21,24,26)/t14-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222492
((S)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 kinase |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM278400
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222494
((S)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C26H26ClN5O4/c1-17(13-32(2)24(34)14-33)36-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)35-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 kinase |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514978
(CHEMBL4451434)Show SMILES CN(CCN(C)c1nnc(NC(=O)Cc2ccccc2)s1)c1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C24H26N8O2S2/c1-31(23-29-27-21(35-23)25-19(33)15-17-9-5-3-6-10-17)13-14-32(2)24-30-28-22(36-24)26-20(34)16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H,25,27,33)(H,26,28,34) | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50222491
(CHEMBL249928 | N-(2-(4-(3-chloro-4-(pyridin-2-ylme...)Show SMILES CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO Show InChI InChI=1S/C25H24ClN5O4/c1-31(23(33)14-32)11-12-34-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17)35-15-18-5-2-3-10-27-18/h2-10,13,16,32H,11-12,14-15H2,1H3,(H,28,29,30) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222491
(CHEMBL249928 | N-(2-(4-(3-chloro-4-(pyridin-2-ylme...)Show SMILES CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO Show InChI InChI=1S/C25H24ClN5O4/c1-31(23(33)14-32)11-12-34-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17)35-15-18-5-2-3-10-27-18/h2-10,13,16,32H,11-12,14-15H2,1H3,(H,28,29,30) | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Erb2 autophosphorylation by cellular clone 24 assay |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM278400
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1 | PDB
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of GLS1 GAC isoform (unknown origin) using glutamine as substrate preincubated for 15 mins followed by substrate addition and measured aft... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM108464
(US8604016, 21 | US9938267, Cmpd ID 21)Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C24H24N6O2S2/c31-19(15-17-9-3-1-4-10-17)25-23-29-27-21(33-23)13-7-8-14-22-28-30-24(34-22)26-20(32)16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,25,29,31)(H,26,30,32) | PDB
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50172138
(CHEMBL3808443 | US10040788, Example 1(a) | US10294...)Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C18H20N8O2S/c1-28-14(12-5-3-2-4-6-12)15(27)22-18-25-24-17(29-18)21-13-7-10-26(11-13)16-19-8-9-20-23-16/h2-6,8-9,13-14H,7,10-11H2,1H3,(H,21,24)(H,22,25,27)/t13-,14+/m1/s1 | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514990
(CHEMBL4448931)Show SMILES Nc1nnc(N[C@@H]2CCN(C2)c2ccc(NC(=O)Cc3ccccc3)nn2)s1 |r| Show InChI InChI=1S/C18H20N8OS/c19-17-24-25-18(28-17)20-13-8-9-26(11-13)15-7-6-14(22-23-15)21-16(27)10-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H2,19,24)(H,20,25)(H,21,22,27)/t13-/m1/s1 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514974
(CHEMBL4472367)Show SMILES CC(=O)Nc1nnc(s1)N1CC[C@H](C1)Nc1nnc(NC(=O)Cc2ccccc2)s1 |r| Show InChI InChI=1S/C18H20N8O2S2/c1-11(27)19-15-24-25-18(30-15)26-8-7-13(10-26)20-16-22-23-17(29-16)21-14(28)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,20,22)(H,19,24,27)(H,21,23,28)/t13-/m1/s1 | PDB
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antibodypedia
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50222490
((R)-1-(2-((4-(3-chloro-4-(pyridin-2-ylmethoxy)phen...)Show SMILES OCC(=O)N1CCC[C@@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C27H26ClN5O4/c28-21-13-18(9-10-23(21)36-15-19-5-1-2-11-29-19)32-27-26-22(30-17-31-27)7-3-8-24(26)37-16-20-6-4-12-33(20)25(35)14-34/h1-3,5,7-11,13,17,20,34H,4,6,12,14-16H2,(H,30,31,32)/t20-/m1/s1 | PDB
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| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514989
(CHEMBL4444363)Show SMILES CC(=O)N1CCCCC1CC(=O)Nc1nnc(s1)N1CC[C@H](C1)Nc1nnc(NC(=O)Cc2ccccc2)s1 |r| Show InChI InChI=1S/C25H31N9O3S2/c1-16(35)34-11-6-5-9-19(34)14-21(37)28-24-31-32-25(39-24)33-12-10-18(15-33)26-22-29-30-23(38-22)27-20(36)13-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-15H2,1H3,(H,26,29)(H,27,30,36)(H,28,31,37)/t18-,19?/m1/s1 | PDB
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| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514991
(CHEMBL4594003)Show SMILES O=C(NCc1ccccc1)c1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r| Show InChI InChI=1S/C18H19N7OS/c26-16(19-11-13-5-2-1-3-6-13)17-23-24-18(27-17)21-14-8-10-25(12-14)15-7-4-9-20-22-15/h1-7,9,14H,8,10-12H2,(H,19,26)(H,21,24)/t14-/m1/s1 | PDB
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| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222492
((S)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m0/s1 | PDB
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| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Erb2 autophosphorylation by cellular clone 24 assay |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
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
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| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222490
((R)-1-(2-((4-(3-chloro-4-(pyridin-2-ylmethoxy)phen...)Show SMILES OCC(=O)N1CCC[C@@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C27H26ClN5O4/c28-21-13-18(9-10-23(21)36-15-19-5-1-2-11-29-19)32-27-26-22(30-17-31-27)7-3-8-24(26)37-16-20-6-4-12-33(20)25(35)14-34/h1-3,5,7-11,13,17,20,34H,4,6,12,14-16H2,(H,30,31,32)/t20-/m1/s1 | PDB
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| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Erb2 autophosphorylation by cellular clone 24 assay |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50222494
((S)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C26H26ClN5O4/c1-17(13-32(2)24(34)14-33)36-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)35-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m0/s1 | PDB
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| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM108512
(US8604016, 72 | US9938267, Cmpd ID 72)Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C23H22N6O2S2/c30-18(14-16-8-3-1-4-9-16)24-22-28-26-20(32-22)12-7-13-21-27-29-23(33-21)25-19(31)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,24,28,30)(H,25,29,31) | PDB
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| n/a | n/a | 202 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514983
(CHEMBL4447951)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1 |r| Show InChI InChI=1S/C17H18N8OS/c26-14(10-12-4-2-1-3-5-12)21-17-24-23-16(27-17)20-13-6-9-25(11-13)15-18-7-8-19-22-15/h1-5,7-8,13H,6,9-11H2,(H,20,23)(H,21,24,26)/t13-/m1/s1 | PDB
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antibodypedia
GoogleScholar
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PC sid
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| n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514988
(CHEMBL4548654)Show SMILES CN1CCC(CC(=O)Nc2nnc(s2)N2CC[C@H](C2)Nc2nnc(NC(=O)Cc3ccccc3)s2)CC1 |r| Show InChI InChI=1S/C24H31N9O2S2/c1-32-10-7-17(8-11-32)14-20(35)27-23-30-31-24(37-23)33-12-9-18(15-33)25-21-28-29-22(36-21)26-19(34)13-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3,(H,25,28)(H,26,29,34)(H,27,30,35)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 244 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222495
((S)-1-(2-((4-(3-chloro-4-(pyridin-2-ylmethoxy)phen...)Show SMILES OCC(=O)N1CCC[C@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C27H26ClN5O4/c28-21-13-18(9-10-23(21)36-15-19-5-1-2-11-29-19)32-27-26-22(30-17-31-27)7-3-8-24(26)37-16-20-6-4-12-33(20)25(35)14-34/h1-3,5,7-11,13,17,20,34H,4,6,12,14-16H2,(H,30,31,32)/t20-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Erb2 autophosphorylation by cellular clone 24 assay |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50222494
((S)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C26H26ClN5O4/c1-17(13-32(2)24(34)14-33)36-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)35-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
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| Article
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| n/a | n/a | 291 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Erb2 autophosphorylation by cellular clone 24 assay |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50222495
((S)-1-(2-((4-(3-chloro-4-(pyridin-2-ylmethoxy)phen...)Show SMILES OCC(=O)N1CCC[C@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C27H26ClN5O4/c28-21-13-18(9-10-23(21)36-15-19-5-1-2-11-29-19)32-27-26-22(30-17-31-27)7-3-8-24(26)37-16-20-6-4-12-33(20)25(35)14-34/h1-3,5,7-11,13,17,20,34H,4,6,12,14-16H2,(H,30,31,32)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514980
(CHEMBL4438255)Show SMILES Nc1nnc(s1)N1CC[C@H](C1)Nc1nnc(NC(=O)Cc2ccccc2)s1 |r| Show InChI InChI=1S/C16H18N8OS2/c17-13-20-23-16(26-13)24-7-6-11(9-24)18-14-21-22-15(27-14)19-12(25)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,17,20)(H,18,21)(H,19,22,25)/t11-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM108454
(US8604016, 11 | US9938267, Cmpd ID 11)Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C25H26N6O2S2/c32-20(16-18-10-4-1-5-11-18)26-24-30-28-22(34-24)14-8-3-9-15-23-29-31-25(35-23)27-21(33)17-19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,26,30,32)(H,27,31,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514984
(CHEMBL4534437)Show SMILES O=C(NCc1ccccc1)c1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1 |r| Show InChI InChI=1S/C17H18N8OS/c26-14(19-10-12-4-2-1-3-5-12)15-22-24-17(27-15)21-13-6-9-25(11-13)16-18-7-8-20-23-16/h1-5,7-8,13H,6,9-11H2,(H,19,26)(H,21,24)/t13-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514987
(CHEMBL4570299)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2nncs2)s1 |r| Show InChI InChI=1S/C16H17N7OS2/c24-13(8-11-4-2-1-3-5-11)19-15-21-20-14(26-15)18-12-6-7-23(9-12)16-22-17-10-25-16/h1-5,10,12H,6-9H2,(H,18,20)(H,19,21,24)/t12-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 873 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50222491
(CHEMBL249928 | N-(2-(4-(3-chloro-4-(pyridin-2-ylme...)Show SMILES CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO Show InChI InChI=1S/C25H24ClN5O4/c1-31(23(33)14-32)11-12-34-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17)35-15-18-5-2-3-10-27-18/h2-10,13,16,32H,11-12,14-15H2,1H3,(H,28,29,30) | PDB
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Src |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50222491
(CHEMBL249928 | N-(2-(4-(3-chloro-4-(pyridin-2-ylme...)Show SMILES CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO Show InChI InChI=1S/C25H24ClN5O4/c1-31(23(33)14-32)11-12-34-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17)35-15-18-5-2-3-10-27-18/h2-10,13,16,32H,11-12,14-15H2,1H3,(H,28,29,30) | PDB
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Reactome pathway
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PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Kdr |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514976
(CHEMBL4458193)Show SMILES Nc1nnc(N[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C16H18N8OS2/c17-13-20-21-14(26-13)18-11-6-7-24(9-11)16-23-22-15(27-16)19-12(25)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,17,20)(H,18,21)(H,19,22,25)/t11-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50222492
((S)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...)Show SMILES C[C@@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 17: 6326-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.073
BindingDB Entry DOI: 10.7270/Q2CF9PTZ |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM278400
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of NET (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50514981
(CHEMBL4434859)Show SMILES O=C(Cc1ccccc1)Nc1ccc(N[C@@H]2CCN(C2)c2nncs2)nn1 |r| Show InChI InChI=1S/C18H19N7OS/c26-17(10-13-4-2-1-3-5-13)21-16-7-6-15(22-23-16)20-14-8-9-25(11-14)18-24-19-12-27-18/h1-7,12,14H,8-11H2,(H,20,22)(H,21,23,26)/t14-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra... |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM278400
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of 5HT2B (unknown origin) |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM278400
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1 | PDB
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PC sid
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UniChem
| Article
PubMed
| n/a | n/a | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Ionworks electrophysiology assay |
J Med Chem 62: 6540-6560 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00260
BindingDB Entry DOI: 10.7270/Q2QN6B4W |
More data for this
Ligand-Target Pair | |
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