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BDBM92141 erk000587

SMILES: Cc1cnc(NN2CCCCC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1

InChI Key: InChIKey=GBYCXMQTHFIZCT-HXUWFJFHSA-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 = 92141   
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))
BDBM92141
PNG
(erk000587)
Show SMILES Cc1cnc(NN2CCCCC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H28N6O2/c1-16-13-25-23(28-29-10-6-3-7-11-29)27-21(16)18-12-19(24-14-18)22(31)26-20(15-30)17-8-4-2-5-9-17/h2,4-5,8-9,12-14,20,24,30H,3,6-7,10-11,15H2,1H3,(H,26,31)(H,25,27,28)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
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))
BDBM92141
PNG
(erk000587)
Show SMILES Cc1cnc(NN2CCCCC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H28N6O2/c1-16-13-25-23(28-29-10-6-3-7-11-29)27-21(16)18-12-19(24-14-18)22(31)26-20(15-30)17-8-4-2-5-9-17/h2,4-5,8-9,12-14,20,24,30H,3,6-7,10-11,15H2,1H3,(H,26,31)(H,25,27,28)/t20-/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