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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein arginine N-methyltransferase 1' and Ligand = 'BDBM502002'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Protein arginine N-methyltransferase 1


(Homo sapiens)		BDBM502002
PNG
(US11028083, Example 1a)
Show SMILES CCOC[C@@]1(CC)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CCCc12 |r,wU:4.3,wD:4.4,9.12,(-1.44,13.14,;-2.77,12.37,;-4.1,13.14,;-5.44,12.37,;-5.44,10.83,;-6.77,10.06,;-8.1,10.83,;-4.1,11.6,;-2.77,10.83,;-2.77,9.29,;-4.1,8.52,;-5.44,9.29,;-1.44,8.52,;.1,8.6,;1.44,9.37,;2.77,8.6,;2.77,7.06,;4.1,9.37,;5.44,8.6,;6.77,9.37,;8.1,8.6,;.65,7.16,;-.54,6.19,;-.94,4.7,;-2.48,4.62,;-3.03,6.06,;-1.83,7.03,)|
Show InChI InChI=1S/C22H40N4O/c1-5-22(17-27-6-2)11-9-18(10-12-22)21-19(16-25(4)15-13-23-3)24-26-14-7-8-20(21)26/h18,23H,5-17H2,1-4H3/t18-,22-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 93n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
This enzymatic assay was performed in a 384 well, white, low volume plate (PerkinElmer, Catalog 6008289) with assay buffer consisting of 50 mM Hepes ...

US Patent US11028083 (2021)


BindingDB Entry DOI: 10.7270/Q2B27ZFG
More data for this
Ligand-Target Pair