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BDBM92067 erk000492

SMILES: Cc1cnc(NC2CC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=TUUNUSCSSOIZBW-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 = 92067   
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))
BDBM92067
PNG
(erk000492)
Show SMILES Cc1cnc(NC2CC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O2/c1-12-9-27-21(28-16-5-6-16)30-19(12)14-8-17(26-10-14)20(32)29-18(11-31)13-3-2-4-15(7-13)22(23,24)25/h2-4,7-10,16,18,26,31H,5-6,11H2,1H3,(H,29,32)(H,27,28,30)/t18-/m1/s1
PDB
MMDB

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KEGG

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B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

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))
BDBM92067
PNG
(erk000492)
Show SMILES Cc1cnc(NC2CC2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O2/c1-12-9-27-21(28-16-5-6-16)30-19(12)14-8-17(26-10-14)20(32)29-18(11-31)13-3-2-4-15(7-13)22(23,24)25/h2-4,7-10,16,18,26,31H,5-6,11H2,1H3,(H,29,32)(H,27,28,30)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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