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SMILES: CN(C)C(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2CCN(Cc2c1)[C@H]1CC[C@](C)(O)CC1

InChI Key:

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 = 50598508   
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 kinase kinase kinase 1


(Homo sapiens (Human))		BDBM50598508
PNG
(CHEMBL5205475)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2CCN(Cc2c1)[C@H]1CC[C@](C)(O)CC1 |r,wU:30.34,33.38,(-7.52,5.93,;-7.12,4.45,;-5.63,4.05,;-8.21,3.36,;-9.7,3.75,;-7.81,1.87,;-8.9,.78,;-8.5,-.7,;-7.02,-1.1,;-5.92,-.01,;-6.33,1.48,;-6.62,-2.59,;-7.52,-3.84,;-6.62,-5.08,;-5.15,-4.61,;-3.82,-5.37,;-2.5,-4.6,;-2.5,-3.07,;-3.82,-2.3,;-5.15,-3.07,;-1.17,-2.3,;-1.17,-.76,;.16,.01,;1.5,-.76,;2.82,.01,;4.15,-.75,;4.16,-2.29,;2.83,-3.06,;1.5,-2.29,;.17,-3.07,;5.49,-3.06,;6.82,-2.29,;8.16,-3.06,;8.16,-4.6,;9.7,-4.6,;8.93,-5.93,;6.82,-5.37,;5.49,-4.6,)|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0
More data for this
Ligand-Target Pair