BDBM50364792 CHEMBL1952112
SMILES: CN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChI Key: InChIKey=YGJMOXSYHGXJJL-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50364792 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 pim-1
(Homo sapiens (Human)) | BDBM50364792
(CHEMBL1952112)Show SMILES CN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1 Show InChI InChI=1S/C19H21F3N6O/c1-27-9-7-13(8-10-27)12-23-17-6-5-16-18(24-17)28(26-25-16)14-3-2-4-15(11-14)29-19(20,21)22/h2-6,11,13H,7-10,12H2,1H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of PIM1 (unknown origin) |
J Med Chem 60: 1238-1246 (2017)
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50364792
(CHEMBL1952112)Show SMILES CN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1 Show InChI InChI=1S/C19H21F3N6O/c1-27-9-7-13(8-10-27)12-23-17-6-5-16-18(24-17)28(26-25-16)14-3-2-4-15(11-14)29-19(20,21)22/h2-6,11,13H,7-10,12H2,1H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of PIM1 |
Bioorg Med Chem Lett 22: 1591-7 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1 |
More data for this
Ligand-Target Pair | |
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