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SMILES: COc1cc(ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1)C(N)=O

InChI Key:

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 583472   
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
Protein-arginine deiminase type-4


(Homo sapiens (Human))		BDBM583472
PNG
(4-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...)
Show SMILES COc1cc(ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1)C(N)=O |r,THB:35:34:32.31:29.28|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ07NB
More data for this
Ligand-Target Pair