Found 2 hits for monomerid = 50183022 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 |
|---|
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50183022
(CHEMBL3819019)Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3cccc(F)c3)nc12 Show InChI InChI=1S/C28H30FN7O2/c1-17-13-19(5-8-23(17)26(37)32-21-6-7-21)24-16-31-36-25(24)34-27(33-22-4-2-3-20(29)14-22)35-28(36)30-15-18-9-11-38-12-10-18/h2-5,8,13-14,16,18,21H,6-7,9-12,15H2,1H3,(H,32,37)(H2,30,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TTK (unknown origin) |
Bioorg Med Chem Lett 26: 3562-6 (2016)
BindingDB Entry DOI: 10.7270/Q28G8NNB |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50183022
(CHEMBL3819019)Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3cccc(F)c3)nc12 Show InChI InChI=1S/C28H30FN7O2/c1-17-13-19(5-8-23(17)26(37)32-21-6-7-21)24-16-31-36-25(24)34-27(33-22-4-2-3-20(29)14-22)35-28(36)30-15-18-9-11-38-12-10-18/h2-5,8,13-14,16,18,21H,6-7,9-12,15H2,1H3,(H,32,37)(H2,30,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 26: 3562-6 (2016)
BindingDB Entry DOI: 10.7270/Q28G8NNB |
More data for this
Ligand-Target Pair | |
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