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SMILES: C=CS(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1

InChI Key: InChIKey=QVDFJBYGHPQTNP-HAQNSBGRSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 321288   
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 SMYD3


(Homo sapiens (Human))
BDBM321288
PNG
(5-cyclopropyl-N-((1r,4r)-4- (vinylsulfonamido)cycl...)
Show SMILES C=CS(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-8.62,1.5,;-7.29,.73,;-5.96,1.5,;-6.73,2.83,;-5.19,.16,;-4.62,2.27,;-3.29,1.5,;-1.95,2.27,;-.62,1.5,;-.62,-.04,;-1.95,-.81,;-3.29,-.04,;.71,-.81,;2.05,-.04,;2.05,1.5,;3.38,-.81,;4.84,-.34,;5.75,-1.58,;4.84,-2.83,;3.38,-2.35,;7.29,-1.58,;8.62,-.81,;8.62,-2.35,)|
Show InChI InChI=1S/C15H21N3O4S/c1-2-23(20,21)18-12-7-5-11(6-8-12)16-15(19)13-9-14(22-17-13)10-3-4-10/h2,9-12,18H,1,3-8H2,(H,16,19)/t11-,12-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were an performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use. ...


US Patent US10669243 (2020)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM321288
PNG
(5-cyclopropyl-N-((1r,4r)-4- (vinylsulfonamido)cycl...)
Show SMILES C=CS(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-8.62,1.5,;-7.29,.73,;-5.96,1.5,;-6.73,2.83,;-5.19,.16,;-4.62,2.27,;-3.29,1.5,;-1.95,2.27,;-.62,1.5,;-.62,-.04,;-1.95,-.81,;-3.29,-.04,;.71,-.81,;2.05,-.04,;2.05,1.5,;3.38,-.81,;4.84,-.34,;5.75,-1.58,;4.84,-2.83,;3.38,-2.35,;7.29,-1.58,;8.62,-.81,;8.62,-2.35,)|
Show InChI InChI=1S/C15H21N3O4S/c1-2-23(20,21)18-12-7-5-11(6-8-12)16-15(19)13-9-14(22-17-13)10-3-4-10/h2,9-12,18H,1,3-8H2,(H,16,19)/t11-,12-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10E+4n/an/an/an/an/an/a



EPIZYME, INC.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use....


US Patent US10179773 (2019)


BindingDB Entry DOI: 10.7270/Q2DB83ZM
More data for this
Ligand-Target Pair