Found 3 hits for monomerid = 50232580 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50232580
(CHEMBL4078098)Show SMILES CC[C@H]1N(C2CCCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r| Show InChI InChI=1S/C31H38FN9O2/c1-4-25-28-24(16-33)35-18-40(28)26-17-34-31(38-29(26)41(25)20-8-6-5-7-9-20)37-23-15-22(32)21(14-27(23)43-3)30(42)36-19-10-12-39(2)13-11-19/h14-15,17-20,25H,4-13H2,1-3H3,(H,36,42)(H,34,37,38)/t25-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50232580
(CHEMBL4078098)Show SMILES CC[C@H]1N(C2CCCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r| Show InChI InChI=1S/C31H38FN9O2/c1-4-25-28-24(16-33)35-18-40(28)26-17-34-31(38-29(26)41(25)20-8-6-5-7-9-20)37-23-15-22(32)21(14-27(23)43-3)30(42)36-19-10-12-39(2)13-11-19/h14-15,17-20,25H,4-13H2,1-3H3,(H,36,42)(H,34,37,38)/t25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50232580
(CHEMBL4078098)Show SMILES CC[C@H]1N(C2CCCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r| Show InChI InChI=1S/C31H38FN9O2/c1-4-25-28-24(16-33)35-18-40(28)26-17-34-31(38-29(26)41(25)20-8-6-5-7-9-20)37-23-15-22(32)21(14-27(23)43-3)30(42)36-19-10-12-39(2)13-11-19/h14-15,17-20,25H,4-13H2,1-3H3,(H,36,42)(H,34,37,38)/t25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this Ligand-Target Pair | |