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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EHMT2' and Ligand = 'BDBM50282113'   
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
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))		BDBM50282113
PNG
(CHEMBL4168535)
Show SMILES CNCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=S)Nc1ccc(C2=C3C=CC(O)=CC3Oc3cc(O)ccc23)c(c1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r,c:73,75,78|
Show InChI InChI=1S/C85H132N26O26S/c1-40(69(121)103-56(19-14-32-94-83(89)90)73(125)105-54(18-10-13-31-93-7)74(126)108-59(39-112)77(129)109-66(43(4)113)78(130)97-37-63(119)96-38-64(120)102-53(16-8-11-29-86)71(123)99-42(3)81(133)134)98-79(131)67(44(5)114)110-76(128)58(27-28-62(88)118)106-72(124)55(17-9-12-30-87)107-80(132)68(45(6)115)111-75(127)57(20-15-33-95-84(91)92)104-70(122)41(2)100-85(138)101-46-21-24-49(52(34-46)82(135)136)65-50-25-22-47(116)35-60(50)137-61-36-48(117)23-26-51(61)65/h21-26,34-36,40-45,53-60,66-68,93,112-117H,8-20,27-33,37-39,86-87H2,1-7H3,(H2,88,118)(H,96,119)(H,97,130)(H,98,131)(H,99,123)(H,102,120)(H,103,121)(H,104,122)(H,105,125)(H,106,124)(H,107,132)(H,108,126)(H,109,129)(H,110,128)(H,111,127)(H,133,134)(H,135,136)(H4,89,90,94)(H4,91,92,95)(H2,100,101,138)/t40-,41-,42-,43+,44+,45+,53-,54-,55-,56-,57-,58-,59-,60?,66-,67-,68-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 1.40E+4n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity to G9a (unknown origin) after 30 mins by fluorescence polarization assay

Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair