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BDBM92045 erk000460

SMILES: Cc1cnc(NC2(CO)CC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1

InChI Key: InChIKey=JNLNDBCMQJCVPZ-GOSISDBHSA-N

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 = 92045   
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))
BDBM92045
PNG
(erk000460)
Show SMILES Cc1cnc(NC2(CO)CC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c1-14-10-24-21(27-22(13-29)7-8-22)26-19(14)16-9-17(23-11-16)20(30)25-18(12-28)15-5-3-2-4-6-15/h2-6,9-11,18,23,28-29H,7-8,12-13H2,1H3,(H,25,30)(H,24,26,27)/t18-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
1n/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))
BDBM92045
PNG
(erk000460)
Show SMILES Cc1cnc(NC2(CO)CC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H25N5O3/c1-14-10-24-21(27-22(13-29)7-8-22)26-19(14)16-9-17(23-11-16)20(30)25-18(12-28)15-5-3-2-4-6-15/h2-6,9-11,18,23,28-29H,7-8,12-13H2,1H3,(H,25,30)(H,24,26,27)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1n/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