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BDBM92254 erk000723

SMILES: C[C@@H]1CCN(C[C@@H]1N(C)c1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12)C(=O)CC#N

InChI Key: InChIKey=VJZLATBXABEKKF-XLIONFOSSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 92254   
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 1


(Homo sapiens (Human))
BDBM92254
PNG
(erk000723)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12)C(=O)CC#N
Show InChI InChI=1S/C25H31N9O2/c1-17-8-10-34(21(35)7-9-26)15-20(17)32(2)24-22-23(28-16-27-22)30-25(31-24)29-18-3-5-19(6-4-18)33-11-13-36-14-12-33/h3-6,16-17,20H,7-8,10-15H2,1-2H3,(H2,27,28,29,30,31)/t17-,20+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
407n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)


Article DOI: 10.1021/acs.biochem.6b00786
More data for this
Ligand-Target Pair