new BindingDB logo
myBDB logout

BDBM50042867 CHEMBL3354517

SMILES: O[C@H]1CC[C@@H](CC1)Oc1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F

InChI Key: InChIKey=MQUXRVLSWBLTHR-JOCQHMNTNA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50042867   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50042867
PNG
(CHEMBL3354517)
Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r,wU:4.7,wD:1.0,(22.36,-34.59,;21.11,-33.68,;21.28,-32.14,;20.03,-31.23,;18.63,-31.87,;18.46,-33.4,;19.7,-34.3,;17.39,-30.97,;17.55,-29.44,;18.95,-28.81,;19.11,-27.27,;17.85,-26.37,;16.45,-27.01,;16.3,-28.53,;14.9,-29.16,;13.65,-28.26,;13.8,-26.73,;12.24,-28.89,;10.91,-28.13,;9.77,-29.16,;10.4,-30.57,;11.93,-30.4,;9.63,-31.9,;10.41,-33.23,;11.95,-33.23,;9.64,-34.58,;8.09,-34.58,;7.32,-33.24,;8.1,-31.91,;7.33,-30.57,)|
Show InChI InChI=1/C21H19F2N3O3S/c22-14-2-1-3-15(23)19(14)21-26-17(11-30-21)20(28)25-16-10-24-9-8-18(16)29-13-6-4-12(27)5-7-13/h1-3,8-13,27H,4-7H2,(H,25,28)/t12-,13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50042867
PNG
(CHEMBL3354517)
Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r,wU:4.7,wD:1.0,(22.36,-34.59,;21.11,-33.68,;21.28,-32.14,;20.03,-31.23,;18.63,-31.87,;18.46,-33.4,;19.7,-34.3,;17.39,-30.97,;17.55,-29.44,;18.95,-28.81,;19.11,-27.27,;17.85,-26.37,;16.45,-27.01,;16.3,-28.53,;14.9,-29.16,;13.65,-28.26,;13.8,-26.73,;12.24,-28.89,;10.91,-28.13,;9.77,-29.16,;10.4,-30.57,;11.93,-30.4,;9.63,-31.9,;10.41,-33.23,;11.95,-33.23,;9.64,-34.58,;8.09,-34.58,;7.32,-33.24,;8.1,-31.91,;7.33,-30.57,)|
Show InChI InChI=1/C21H19F2N3O3S/c22-14-2-1-3-15(23)19(14)21-26-17(11-30-21)20(28)25-16-10-24-9-8-18(16)29-13-6-4-12(27)5-7-13/h1-3,8-13,27H,4-7H2,(H,25,28)/t12-,13-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50042867
PNG
(CHEMBL3354517)
Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r,wU:4.7,wD:1.0,(22.36,-34.59,;21.11,-33.68,;21.28,-32.14,;20.03,-31.23,;18.63,-31.87,;18.46,-33.4,;19.7,-34.3,;17.39,-30.97,;17.55,-29.44,;18.95,-28.81,;19.11,-27.27,;17.85,-26.37,;16.45,-27.01,;16.3,-28.53,;14.9,-29.16,;13.65,-28.26,;13.8,-26.73,;12.24,-28.89,;10.91,-28.13,;9.77,-29.16,;10.4,-30.57,;11.93,-30.4,;9.63,-31.9,;10.41,-33.23,;11.95,-33.23,;9.64,-34.58,;8.09,-34.58,;7.32,-33.24,;8.1,-31.91,;7.33,-30.57,)|
Show InChI InChI=1/C21H19F2N3O3S/c22-14-2-1-3-15(23)19(14)21-26-17(11-30-21)20(28)25-16-10-24-9-8-18(16)29-13-6-4-12(27)5-7-13/h1-3,8-13,27H,4-7H2,(H,25,28)/t12-,13-
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin)


Bioorg Med Chem Lett 25: 474-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.041
BindingDB Entry DOI: 10.7270/Q2VQ34BW
More data for this
Ligand-Target Pair