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BDBM50081173 CHEMBL3421972

SMILES: COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12

InChI Key: InChIKey=FTZQWKAIKYEWPM-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 50081173   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081173
PNG
(CHEMBL3421972)
Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human wild-type TTK (514 to 795) expressed in insect sf9 cells


J Med Chem 58: 2834-44 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50081173
PNG
(CHEMBL3421972)
Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged IGF-1R using fluorescence substrate after 80 mins by caliper off-chip incubation mobility shif...


J Med Chem 58: 2834-44 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50081173
PNG
(CHEMBL3421972)
Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C24H26N6O2/c1-30-11-7-16(8-12-30)32-17-3-4-21(23(13-17)31-2)29-24-26-10-6-20(28-24)19-14-27-22-15-25-9-5-18(19)22/h3-6,9-10,13-16,27H,7-8,11-12H2,1-2H3,(H,26,28,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

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



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins


J Med Chem 58: 2834-44 (2015)

More data for this
Ligand-Target Pair