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SMILES: OCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CO)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 2 hits for monomerid = 50567477   
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
Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM50567477
PNG
(CHEMBL4852716)
Show SMILES OCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CO)cc1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Nonstructural protein 3


(Zika virus)		BDBM50567477
PNG
(CHEMBL4852716)
Show SMILES OCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CO)cc1
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 510n/an/an/an/an/an/a


TBA

Assay Description
Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02070
BindingDB Entry DOI: 10.7270/Q20G3PWH
More data for this
Ligand-Target Pair