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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50201571   
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
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))		BDBM50201571
PNG
(CHEMBL3934996)
Show SMILES CCCCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C49H90N20O10/c1-7-8-14-32(42(74)69-38(28(4)5)45(77)68-36(23-27(2)3)43(75)66-35(46(78)79)18-13-22-60-49(55)56)63-40(72)33(16-11-20-58-47(51)52)65-44(76)37(24-30-25-57-26-61-30)67-41(73)34(17-12-21-59-48(53)54)64-39(71)31(62-29(6)70)15-9-10-19-50/h25-28,31-38H,7-24,50H2,1-6H3,(H,57,61)(H,62,70)(H,63,72)(H,64,71)(H,65,76)(H,66,75)(H,67,73)(H,68,77)(H,69,74)(H,78,79)(H4,51,52,58)(H4,53,54,59)(H4,55,56,60)/t31-,32?,33-,34-,35-,36-,37-,38-/m0/s1
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Similars
Article
PubMed
 50n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human SETD8 (186 to 352 residues) using biotin-labeled H4K20 (1 to 24 residues) as substrate after 1 hr in presence of 3H-S...

ACS Med Chem Lett 7: 1102-1106 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00303
BindingDB Entry DOI: 10.7270/Q2319XVP
More data for this
Ligand-Target Pair