BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cc1OC)-c1cnc2[nH]cc(C#Cc3cccnc3)c2n1

InChI Key: InChIKey=RPJDELGPVRIORQ-UHFFFAOYSA-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 1 hit for monomerid = 50502308   
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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50502308
PNG
(CHEMBL4442812)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(C#Cc3cccnc3)c2n1
Show InChI InChI=1S/C21H16N4O2/c1-26-18-8-7-15(10-19(18)27-2)17-13-24-21-20(25-17)16(12-23-21)6-5-14-4-3-9-22-11-14/h3-4,7-13H,1-2H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.30n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...

J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
More data for this
Ligand-Target Pair