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BDBM92002 erk000125

SMILES: Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CCCCC2)c1

InChI Key: InChIKey=JMLIPRNMUGOAAS-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 92002   
Target
(Institution)
LigandTarget
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
MAP kinase ERK2


(Homo sapiens (human))
BDBM92002
PNG
(erk000125)
Show SMILES Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C20H21FN4/c21-16-8-6-14(7-9-16)20-18(13-23-25-20)15-10-11-22-19(12-15)24-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,22,24)(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
2.57E+3n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase ERK2


(Homo sapiens (human))
BDBM92002
PNG
(erk000125)
Show SMILES Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CCCCC2)c1
Show InChI InChI=1S/C20H21FN4/c21-16-8-6-14(7-9-16)20-18(13-23-25-20)15-10-11-22-19(12-15)24-17-4-2-1-3-5-17/h6-13,17H,1-5H2,(H,22,24)(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
D3R
2.57E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)