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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM92240'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM92240
PNG
(erk000709)
Show SMILES CC[C@@H](CO)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N(C)[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN5O3/c1-4-18(12-30)27-23-26-10-14(2)21(28-23)16-9-19(25-11-16)22(32)29(3)20(13-31)15-6-5-7-17(24)8-15/h5-11,18,20,25,30-31H,4,12-13H2,1-3H3,(H,26,27,28)/t18-,20+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

D3R
2n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM92240
PNG
(erk000709)
Show SMILES CC[C@@H](CO)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N(C)[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN5O3/c1-4-18(12-30)27-23-26-10-14(2)21(28-23)16-9-19(25-11-16)22(32)29(3)20(13-31)15-6-5-7-17(24)8-15/h5-11,18,20,25,30-31H,4,12-13H2,1-3H3,(H,26,27,28)/t18-,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
2n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair