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SMILES: Cc1c(CC#N)ccnc1-c1cc(N)cc(c1)-c1cnc2NC[C@@]3(CC[C@@](C)(C3)C#N)c2c1Cl

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50598505   
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))		BDBM50598505
PNG
(CHEMBL5187417)
Show SMILES Cc1c(CC#N)ccnc1-c1cc(N)cc(c1)-c1cnc2NC[C@@]3(CC[C@@](C)(C3)C#N)c2c1Cl |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.900n/an/an/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