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BDBM91995 erk000071

SMILES: Clc1ccc(cc1)-c1n[nH]c2CCCCc12

InChI Key: InChIKey=KVEOBXMMMLVLKY-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 = 91995   
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))
BDBM91995
PNG
(erk000071)
Show SMILES Clc1ccc(cc1)-c1n[nH]c2CCCCc12
Show InChI InChI=1S/C13H13ClN2/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h5-8H,1-4H2,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
5.25E+3n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


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


(Homo sapiens (human))
BDBM91995
PNG
(erk000071)
Show SMILES Clc1ccc(cc1)-c1n[nH]c2CCCCc12
Show InChI InChI=1S/C13H13ClN2/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h5-8H,1-4H2,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
D3R
5.25E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)

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