Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50008163 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 |
|---|
Aurora kinase A
(Homo sapiens (Human)) | BDBM50516344
(CHEMBL4462759)Show SMILES COc1ccc(Oc2nc(Nc3ccc(cc3)-c3nnn[nH]3)ncc2Cl)cc1 Show InChI InChI=1S/C18H14ClN7O2/c1-27-13-6-8-14(9-7-13)28-17-15(19)10-20-18(22-17)21-12-4-2-11(3-5-12)16-23-25-26-24-16/h2-10H,1H3,(H,20,21,22)(H,23,24,25,26) | 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 | 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a |
Henan University of Chinese Medicine
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
Eur J Med Chem 178: 341-351 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.071
BindingDB Entry DOI: 10.7270/Q2BZ69DR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50516346
(CHEMBL4476212)Show SMILES Fc1ccc(Oc2nc(Nc3ccc(cc3)-c3nnn[nH]3)ncc2Cl)cc1 Show InChI InChI=1S/C17H11ClFN7O/c18-14-9-20-17(22-16(14)27-13-7-3-11(19)4-8-13)21-12-5-1-10(2-6-12)15-23-25-26-24-15/h1-9H,(H,20,21,22)(H,23,24,25,26) | 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 | 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a |
Henan University of Chinese Medicine
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
Eur J Med Chem 178: 341-351 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.071
BindingDB Entry DOI: 10.7270/Q2BZ69DR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50516349
(CHEMBL4443279)Show SMILES Fc1ccccc1Oc1nc(Nc2ccc(cc2)-c2nnn[nH]2)ncc1Cl Show InChI InChI=1S/C17H11ClFN7O/c18-12-9-20-17(22-16(12)27-14-4-2-1-3-13(14)19)21-11-7-5-10(6-8-11)15-23-25-26-24-15/h1-9H,(H,20,21,22)(H,23,24,25,26) | 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 | 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a |
Henan University of Chinese Medicine
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
Eur J Med Chem 178: 341-351 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.071
BindingDB Entry DOI: 10.7270/Q2BZ69DR |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50516345
(CHEMBL4516559)Show InChI InChI=1S/C15H17N7O/c1-9(2)23-14-10(3)8-16-15(18-14)17-12-6-4-11(5-7-12)13-19-21-22-20-13/h4-9H,1-3H3,(H,16,17,18)(H,19,20,21,22) | 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 | 0.438 | n/a | n/a | n/a | n/a | n/a | n/a |
Henan University of Chinese Medicine
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
Eur J Med Chem 178: 341-351 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.071
BindingDB Entry DOI: 10.7270/Q2BZ69DR |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15B
(Rattus norvegicus) | BDBM50516347
(CHEMBL4531593)Show SMILES Cc1nc2cc(C)c(CN(C#C)c3ccc(C(=O)N[C@@H](CCc4nnnn4CC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C27H25FN8O6/c1-4-35(12-16-10-19-22(9-14(16)2)29-15(3)30-26(19)40)17-5-6-18(20(28)11-17)25(39)31-21(27(41)42)7-8-23-32-33-34-36(23)13-24(37)38/h1,5-6,9-11,21H,7-8,12-13H2,2-3H3,(H,31,39)(H,37,38)(H,41,42)(H,29,30,40)/t21-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Henan University of Chinese Medicine
Curated by ChEMBL
| Assay Description
Inhibition of thymidylate synthase (unknown origin) |
Eur J Med Chem 178: 341-351 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.071
BindingDB Entry DOI: 10.7270/Q2BZ69DR |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50516348
(CHEMBL4442173)Show SMILES COc1cc(NC(=O)c2coc3ccccc3c2=O)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C36H32N6O5/c1-45-32-19-28(30(20-33(32)46-2)37-36(44)29-22-47-31-10-6-5-9-27(31)34(29)43)35-38-40-42(39-35)26-13-11-23(12-14-26)15-17-41-18-16-24-7-3-4-8-25(24)21-41/h3-14,19-20,22H,15-18,21H2,1-2H3,(H,37,44) | PDB
UniProtKB/SwissProt
B.MOAD
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 |
Henan University of Chinese Medicine
Curated by ChEMBL
| Assay Description
Inhibition of Pgp (unknown origin) expressed in MDCK cells assessed as reduction in paclitaxel transport |
Eur J Med Chem 178: 341-351 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.071
BindingDB Entry DOI: 10.7270/Q2BZ69DR |
More data for this
Ligand-Target Pair | |
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