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BDBM91988 erk000060

SMILES: CCNc1ncc(CC)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1

InChI Key: InChIKey=CTXJFTWZRLCIJZ-GOSISDBHSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 91988   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91988
PNG
(erk000060)
Show SMILES CCNc1ncc(CC)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H25N5O2/c1-3-14-11-24-21(22-4-2)26-19(14)16-10-17(23-12-16)20(28)25-18(13-27)15-8-6-5-7-9-15/h5-12,18,23,27H,3-4,13H2,1-2H3,(H,25,28)(H,22,24,26)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
120n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM91988
PNG
(erk000060)
Show SMILES CCNc1ncc(CC)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H25N5O2/c1-3-14-11-24-21(22-4-2)26-19(14)16-10-17(23-12-16)20(28)25-18(13-27)15-8-6-5-7-9-15/h5-12,18,23,27H,3-4,13H2,1-2H3,(H,25,28)(H,22,24,26)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

D3R
120n/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