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BDBM50115402 CHEMBL3608588

SMILES: OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1cccc(Cl)c1

InChI Key: InChIKey=KQDDJNKQTVYZHY-HSZRJFAPSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches 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 1 hit for monomerid = 50115402   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50115402
PNG
(CHEMBL3608588)
Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClN5O3/c26-19-4-1-3-17(13-19)23(16-32)31-10-2-9-30-15-18(14-22(30)24(31)33)21-5-8-27-25(29-21)28-20-6-11-34-12-7-20/h1,3-5,8,13-15,20,23,32H,2,6-7,9-12,16H2,(H,27,28,29)/t23-/m1/s1
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UniProtKB/SwissProt
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PC cid
PC sid
PDB
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Similars

PDB
Article
PubMed
n/an/a 0.0100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3788-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.091
BindingDB Entry DOI: 10.7270/Q2G44S3Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)