Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50017404 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 |
|---|
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50252729
((2''Z-3''E)-6-Bromoindirubin-3''-(O-{2-[4-(2-hydro...)Show SMILES Cl.Cl.Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCNCC1 Show InChI InChI=1S/C24H26BrN5O3/c25-16-5-6-17-20(15-16)27-24(32)21(17)23-22(18-3-1-2-4-19(18)26-23)28-33-14-12-30-9-7-29(8-10-30)11-13-31/h1-6,15,26,31H,7-14H2,(H,27,32)/b23-21-,28-22+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50564376
(CHEMBL4781229 | US11370779, Compound 4)Show SMILES COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50564368
(CHEMBL4781746)Show SMILES Cl.O=C1Nc2ccccc2\C1=C1\Nc2ccccc2\C\1=N/OCCN1CCNCC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50012188
(6BIO)Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50546117
(CHEMBL4763626)Show SMILES Cl.NCCO\N=C1\C(\Nc2ccc(O)cc\12)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM559439
(US11370779, Compound 7)Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(cc12)C(O)=O | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50239780
(CHEMBL4065365)Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1 Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+ | PDB
MMDB
Reactome pathway
KEGG
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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50239780
(CHEMBL4065365)Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1 Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+ | PDB
MMDB
KEGG
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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50239780
(CHEMBL4065365)Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1 Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+ | PDB
Reactome pathway
KEGG
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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50239780
(CHEMBL4065365)Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1 Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+ | PDB
KEGG
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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50239780
(CHEMBL4065365)Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1 Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+ | PDB
MMDB
Reactome pathway
KEGG
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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50239780
(CHEMBL4065365)Show SMILES COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCC(O)CO)c2c1 Show InChI InChI=1S/C20H19N3O5/c1-27-12-6-7-16-14(8-12)17(20(26)22-16)19-18(23-28-10-11(25)9-24)13-4-2-3-5-15(13)21-19/h2-8,11,21,24-25H,9-10H2,1H3,(H,22,26)/b19-17-,23-18+ | PDB
Reactome pathway
KEGG
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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50593898
(CHEMBL1208600)Show SMILES OS(=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50593898
(CHEMBL1208600)Show SMILES OS(=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50012188
(6BIO)Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase C
(Homo sapiens (Human)) | BDBM50601615
(CHEMBL3265229)Show SMILES CC(=O)O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM50012184
(CHEMBL1092509)Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+ | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
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| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50546117
(CHEMBL4763626)Show SMILES Cl.NCCO\N=C1\C(\Nc2ccc(O)cc\12)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O | PDB
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| n/a | n/a | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50564376
(CHEMBL4781229 | US11370779, Compound 4)Show SMILES COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1 | PDB
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| n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50593898
(CHEMBL1208600)Show SMILES OS(=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50601613
(CHEMBL5186063)Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(cc12)C(=O)N1CCCCC1 | PDB
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Sgk1
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50005337
(CHEMBL1276317)Show SMILES OCC(O)CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12 Show InChI InChI=1S/C19H17N3O4/c23-9-11(24)10-26-22-17-13-6-2-4-8-15(13)20-18(17)16-12-5-1-3-7-14(12)21-19(16)25/h1-8,11,20,23-24H,9-10H2,(H,21,25)/b18-16-,22-17+ | PDB
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
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| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50564376
(CHEMBL4781229 | US11370779, Compound 4)Show SMILES COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1 | PDB
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| n/a | n/a | 523 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
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| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50564376
(CHEMBL4781229 | US11370779, Compound 4)Show SMILES COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCN3CCNCC3)c2c1 | PDB
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| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50005337
(CHEMBL1276317)Show SMILES OCC(O)CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12 Show InChI InChI=1S/C19H17N3O4/c23-9-11(24)10-26-22-17-13-6-2-4-8-15(13)20-18(17)16-12-5-1-3-7-14(12)21-19(16)25/h1-8,11,20,23-24H,9-10H2,(H,21,25)/b18-16-,22-17+ | PDB
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| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50005337
(CHEMBL1276317)Show SMILES OCC(O)CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12 Show InChI InChI=1S/C19H17N3O4/c23-9-11(24)10-26-22-17-13-6-2-4-8-15(13)20-18(17)16-12-5-1-3-7-14(12)21-19(16)25/h1-8,11,20,23-24H,9-10H2,(H,21,25)/b18-16-,22-17+ | PDB
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| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM7392
(2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-...)Show InChI InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13- | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50601610
(CHEMBL5194837) | PDB
MMDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50012188
(6BIO)Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+ | PDB
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50012184
(CHEMBL1092509)Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+ | PDB
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| Article
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7392
(2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-...)Show InChI InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13- | PDB
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| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
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| Article
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM559434
(US11370779, Compound 1)Show SMILES COC(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1 | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 3.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50166289
(CHEBI:43645 | CHEMBL216543)Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | PDB
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| Article
PubMed
| n/a | n/a | 3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50012184
(CHEMBL1092509)Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18,22H,(H,19,21)/b15-12-,20-14+ | PDB
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| Article
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| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM7392
(2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-...)Show InChI InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13- | PDB
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NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM559439
(US11370779, Compound 7)Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(cc12)C(O)=O | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50601615
(CHEMBL3265229)Show SMILES CC(=O)O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113652
BindingDB Entry DOI: 10.7270/Q27H1PN4 |
More data for this
Ligand-Target Pair | |
Search and Browse
