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BDBM50344749 1-(2-aminoethyl)-3-(2-(quinolin-3-yl)pyridin-4-yl)-1H-pyrazole-5-carboxylic acid::1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid::CHEMBL1738780

SMILES: NCCn1nc(cc1C(O)=O)-c1ccnc(c1)-c1cnc2ccccc2c1

InChI Key: InChIKey=IDPLDWUOSVSMNS-UHFFFAOYSA-N

Data: 1 EC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50344749   
Target
(Institution)
LigandTarget
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
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344749
PNG
(1-(2-aminoethyl)-3-(2-(quinolin-3-yl)pyridin-4-yl)...)
Show SMILES NCCn1nc(cc1C(O)=O)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C20H17N5O2/c21-6-8-25-19(20(26)27)11-18(24-25)14-5-7-22-17(10-14)15-9-13-3-1-2-4-16(13)23-12-15/h1-5,7,9-12H,6,8,21H2,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
MMDB
PDB
Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)