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SMILES: CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CN(C3)c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)[C@@H]3C[C@H](O)C3)CC2)OC1

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 2 hits for monomerid = 656655   
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
Histone-lysine N-methyltransferase 2A/Menin


(Homo sapiens (Human))
BDBM656655
PNG
(2-((4-(7-(((2S,5R)-5-(ethylsulfonamido)tetrahydro-...)
Show SMILES CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CN(C3)c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)[C@@H]3C[C@H](O)C3)CC2)OC1 |r,wU:9.9,wD:38.40,6.5,40.43,(9.34,6.48,;8,7.25,;6.67,6.48,;5.9,5.15,;7.44,5.15,;5.33,7.25,;4,6.48,;4,4.94,;2.67,4.17,;1.33,4.94,;,4.17,;,2.63,;1.33,1.86,;1.33,.32,;,-.45,;1.09,-1.54,;,-2.63,;-1.09,-1.54,;,-4.17,;1.33,-4.94,;1.33,-6.48,;,-7.25,;-1.33,-6.48,;-1.33,-4.94,;-2.67,-4.17,;-4,-4.94,;-4,-6.48,;-5.33,-7.25,;-6.67,-6.48,;-8,-7.25,;-6.67,-4.94,;-5.33,-4.17,;-5.33,-2.63,;-4,-1.86,;-6.67,-1.86,;-8,-2.63,;-9.34,-1.86,;-8,-4.17,;-6.67,-.32,;-7.76,.77,;-6.67,1.86,;-6.67,3.4,;-5.58,.77,;-1.33,.32,;-1.33,1.86,;1.33,6.48,;2.67,7.25,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
<1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))
BDBM656655
PNG
(2-((4-(7-(((2S,5R)-5-(ethylsulfonamido)tetrahydro-...)
Show SMILES CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CN(C3)c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)[C@@H]3C[C@H](O)C3)CC2)OC1 |r,wU:9.9,wD:38.40,6.5,40.43,(9.34,6.48,;8,7.25,;6.67,6.48,;5.9,5.15,;7.44,5.15,;5.33,7.25,;4,6.48,;4,4.94,;2.67,4.17,;1.33,4.94,;,4.17,;,2.63,;1.33,1.86,;1.33,.32,;,-.45,;1.09,-1.54,;,-2.63,;-1.09,-1.54,;,-4.17,;1.33,-4.94,;1.33,-6.48,;,-7.25,;-1.33,-6.48,;-1.33,-4.94,;-2.67,-4.17,;-4,-4.94,;-4,-6.48,;-5.33,-7.25,;-6.67,-6.48,;-8,-7.25,;-6.67,-4.94,;-5.33,-4.17,;-5.33,-2.63,;-4,-1.86,;-6.67,-1.86,;-8,-2.63,;-9.34,-1.86,;-8,-4.17,;-6.67,-.32,;-7.76,.77,;-6.67,1.86,;-6.67,3.4,;-5.58,.77,;-1.33,.32,;-1.33,1.86,;1.33,6.48,;2.67,7.25,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair