BindingDB logo
myBDB logout

BDBM50134187 CHEMBL3735506

SMILES: COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1

InChI Key: InChIKey=QCLXNOBXQUWUEW-UHFFFAOYSA-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 = 50134187   
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
Mitogen-activated protein kinase 7


(Homo sapiens)
BDBM50134187
PNG
(CHEMBL3735506)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
Show InChI InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 220n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERK5 by LANCE assay


Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor kinase 2


(Homo sapiens (Human))
BDBM50134187
PNG
(CHEMBL3735506)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
Show InChI InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 530n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GRK2 by LANCE assay


Citation and Details
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens)
BDBM50134187
PNG
(CHEMBL3735506)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
Show InChI InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 530n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 by LANCE assay


Citation and Details
More data for this
Ligand-Target Pair