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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 = 'BDBM92210'   
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))
BDBM92210
PNG
(erk000671)
Show SMILES OC[C@@H](NC(=O)c1cc(c[nH]1)-c1ncnc(Nc2ccccc2)n1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-4-5-14(9-16)19(12-30)28-21(31)18-10-15(11-24-18)20-25-13-26-22(29-20)27-17-7-2-1-3-8-17/h1-11,13,19,24,30H,12H2,(H,28,31)(H,25,26,27,29)/t19-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
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))
BDBM92210
PNG
(erk000671)
Show SMILES OC[C@@H](NC(=O)c1cc(c[nH]1)-c1ncnc(Nc2ccccc2)n1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-4-5-14(9-16)19(12-30)28-21(31)18-10-15(11-24-18)20-25-13-26-22(29-20)27-17-7-2-1-3-8-17/h1-11,13,19,24,30H,12H2,(H,28,31)(H,25,26,27,29)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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