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SMILES: COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c4NC(=O)Cc4ccc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N

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 = 583713   
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))		BDBM583713
PNG
(US11524959, Compound 605.)
Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c4NC(=O)Cc4ccc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 18n/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