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BDBM92229 erk000697

SMILES: CC[C@@H](CO)Nc1ncc(F)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1

InChI Key: InChIKey=KCKYMDMIPKHNKE-MAUKXSAKSA-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 = 92229   
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))
BDBM92229
PNG
(erk000697)
Show SMILES CC[C@@H](CO)Nc1ncc(F)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClFN5O3/c1-2-15(10-29)26-21-25-9-16(23)19(28-21)13-7-17(24-8-13)20(31)27-18(11-30)12-4-3-5-14(22)6-12/h3-9,15,18,24,29-30H,2,10-11H2,1H3,(H,27,31)(H,25,26,28)/t15-,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
3n/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))
BDBM92229
PNG
(erk000697)
Show SMILES CC[C@@H](CO)Nc1ncc(F)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClFN5O3/c1-2-15(10-29)26-21-25-9-16(23)19(28-21)13-7-17(24-8-13)20(31)27-18(11-30)12-4-3-5-14(22)6-12/h3-9,15,18,24,29-30H,2,10-11H2,1H3,(H,27,31)(H,25,26,28)/t15-,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3n/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