BindingDB logo
myBDB logout

null

SMILES: CC(C)COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1

InChI Key: InChIKey=FBEUTZRQCSCWQM-CQSZACIVSA-N

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 = 50387296   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50387296
PNG
(CHEMBL2048870)
Show SMILES CC(C)COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:10.9,c:14|
Show InChI InChI=1S/C19H25N3O3S/c1-12(2)11-25-15-7-3-5-13(9-16-18(23)21-19(24)26-16)17(15)22-8-4-6-14(20)10-22/h3,5,7,9,12,14H,4,6,8,10-11,20H2,1-2H3,(H,21,23,24)/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50387296
PNG
(CHEMBL2048870)
Show SMILES CC(C)COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:10.9,c:14|
Show InChI InChI=1S/C19H25N3O3S/c1-12(2)11-25-15-7-3-5-13(9-16-18(23)21-19(24)26-16)17(15)22-8-4-6-14(20)10-22/h3,5,7,9,12,14H,4,6,8,10-11,20H2,1-2H3,(H,21,23,24)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50387296
PNG
(CHEMBL2048870)
Show SMILES CC(C)COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:10.9,c:14|
Show InChI InChI=1S/C19H25N3O3S/c1-12(2)11-25-15-7-3-5-13(9-16-18(23)21-19(24)26-16)17(15)22-8-4-6-14(20)10-22/h3,5,7,9,12,14H,4,6,8,10-11,20H2,1-2H3,(H,21,23,24)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP


Bioorg Med Chem Lett 22: 4599-604 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS
More data for this
Ligand-Target Pair