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BDBM92122 erk000558

SMILES: Cc1cnc(NN2CCOCC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1

InChI Key: InChIKey=BNZZOBPRCQKMDC-LJQANCHMSA-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 = 92122   
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))
BDBM92122
PNG
(erk000558)
Show SMILES Cc1cnc(NN2CCOCC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C22H25ClN6O3/c1-14-11-25-22(28-29-5-7-32-8-6-29)27-20(14)16-10-18(24-12-16)21(31)26-19(13-30)15-3-2-4-17(23)9-15/h2-4,9-12,19,24,30H,5-8,13H2,1H3,(H,26,31)(H,25,27,28)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM92122
PNG
(erk000558)
Show SMILES Cc1cnc(NN2CCOCC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C22H25ClN6O3/c1-14-11-25-22(28-29-5-7-32-8-6-29)27-20(14)16-10-18(24-12-16)21(31)26-19(13-30)15-3-2-4-17(23)9-15/h2-4,9-12,19,24,30H,5-8,13H2,1H3,(H,26,31)(H,25,27,28)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/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