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BDBM36475 (S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-(4-hydroxy-6-(5-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-ylamino)-N-methylpropanamide::DEL-B, 15a

SMILES: CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(nc(=O)[nH]1)-n1cnc2cc(ccc12)C(=O)N1CCCc2ccccc12

InChI Key: InChIKey=APEUJVYRISXJIA-VWLOTQADSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36475   
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 14


(Homo sapiens (Human))
BDBM36475
PNG
((S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2...)
Show SMILES CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(nc(=O)[nH]1)-n1cnc2cc(ccc12)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C34H34N8O5/c1-34(2)46-18-23-15-20(10-13-28(23)47-34)16-25(29(43)35-3)37-31-38-32(40-33(45)39-31)42-19-36-24-17-22(11-12-27(24)42)30(44)41-14-6-8-21-7-4-5-9-26(21)41/h4-5,7,9-13,15,17,19,25H,6,8,14,16,18H2,1-3H3,(H,35,43)(H2,37,38,39,40,45)/t25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 5.20E+3n/an/a9.516



Praecis Pharmaceuticals



Assay Description
Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...


Nat Chem Biol 5: 647-54 (2009)


Article DOI: 10.1038/nchembio.211
BindingDB Entry DOI: 10.7270/Q2MP51NX
More data for this
Ligand-Target Pair