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SMILES: COc1cc(cc2nc(NCc3cc(Cl)ccn3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1

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 = 50547832   
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
Thyroid hormone receptor beta


(Homo sapiens (Human))		BDBM50547832
PNG
(CHEMBL4793547)
Show SMILES COc1cc(cc2nc(NCc3cc(Cl)ccn3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |(46.57,-2.43,;45.24,-3.2,;45.25,-4.74,;43.92,-5.51,;43.92,-7.06,;45.25,-7.83,;46.59,-7.06,;48.07,-7.53,;48.97,-6.27,;50.51,-6.26,;51.29,-7.59,;50.53,-8.93,;48.99,-8.93,;48.23,-10.27,;46.69,-10.28,;49.01,-11.6,;50.56,-11.59,;51.31,-10.25,;48.05,-5.02,;46.58,-5.51,;42.58,-7.83,;42.58,-9.37,;41.25,-7.06,;41.25,-5.52,;39.92,-4.74,;39.93,-3.2,;38.58,-5.51,;38.58,-7.05,;39.91,-7.83,;39.91,-9.36,;38.82,-10.45,;39.91,-11.54,;39.91,-13.08,;41,-10.45,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair