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BDBM91969 erk000031

SMILES: Nc1ncc(-c2cc(Cl)cc(Cl)c2)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1

InChI Key: InChIKey=ZBKUUOGCBBVYDC-HXUWFJFHSA-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 = 91969   
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))
BDBM91969
PNG
(erk000031)
Show SMILES Nc1ncc(-c2cc(Cl)cc(Cl)c2)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H19Cl2N5O2/c24-16-6-14(7-17(25)9-16)18-11-28-23(26)30-21(18)15-8-19(27-10-15)22(32)29-20(12-31)13-4-2-1-3-5-13/h1-11,20,27,31H,12H2,(H,29,32)(H2,26,28,30)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
229n/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))
BDBM91969
PNG
(erk000031)
Show SMILES Nc1ncc(-c2cc(Cl)cc(Cl)c2)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H19Cl2N5O2/c24-16-6-14(7-17(25)9-16)18-11-28-23(26)30-21(18)15-8-19(27-10-15)22(32)29-20(12-31)13-4-2-1-3-5-13/h1-11,20,27,31H,12H2,(H,29,32)(H2,26,28,30)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

D3R
229n/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