BindingDB logo
myBDB logout

BDBM50421278 CHEMBL2087654

SMILES: CNS(=O)(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1

InChI Key: InChIKey=IAAPQGNOFQITDM-SFHVURJKSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50421278   
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
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50421278
PNG
(CHEMBL2087654)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C24H25N5O3S/c1-25-33(30,31)19-11-9-17(10-12-19)22-20(16-6-3-2-4-7-16)21-23(27-15-28-24(21)29-22)26-14-18-8-5-13-32-18/h2-4,6-7,9-12,15,18,25H,5,8,13-14H2,1H3,(H2,26,27,28,29)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...


Bioorg Med Chem Lett 22: 6212-7 (2012)

More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Mus musculus)
BDBM50421278
PNG
(CHEMBL2087654)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show InChI InChI=1S/C24H25N5O3S/c1-25-33(30,31)19-11-9-17(10-12-19)22-20(16-6-3-2-4-7-16)21-23(27-15-28-24(21)29-22)26-14-18-8-5-13-32-18/h2-4,6-7,9-12,15,18,25H,5,8,13-14H2,1H3,(H2,26,27,28,29)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs


Bioorg Med Chem Lett 22: 6212-7 (2012)

More data for this
Ligand-Target Pair