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BDBM92146 erk000594

SMILES: Oc1cccc(Nc2nccc(n2)-c2sc(NCC[NH+]3CCCCC3)c(C#N)c2-c2cccc(Cl)c2)c1

InChI Key: InChIKey=PNULACZBCYZZLG-UHFFFAOYSA-O

Data: 2 KI

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 = 92146   
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))
BDBM92146
PNG
(erk000594)
Show SMILES Oc1cccc(Nc2nccc(n2)-c2sc(NCC[NH+]3CCCCC3)c(C#N)c2-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C28H27ClN6OS/c29-20-7-4-6-19(16-20)25-23(18-30)27(31-12-15-35-13-2-1-3-14-35)37-26(25)24-10-11-32-28(34-24)33-21-8-5-9-22(36)17-21/h4-11,16-17,31,36H,1-3,12-15H2,(H,32,33,34)/p+1
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
D3R
26.9n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM92146
PNG
(erk000594)
Show SMILES Oc1cccc(Nc2nccc(n2)-c2sc(NCC[NH+]3CCCCC3)c(C#N)c2-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C28H27ClN6OS/c29-20-7-4-6-19(16-20)25-23(18-30)27(31-12-15-35-13-2-1-3-14-35)37-26(25)24-10-11-32-28(34-24)33-21-8-5-9-22(36)17-21/h4-11,16-17,31,36H,1-3,12-15H2,(H,32,33,34)/p+1
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
27n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair