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BDBM283131 Rac-N-[1-{N′-cyano-N-[3-(difluoromethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-2-hydroxy-N-methylacetamide::US10023539, Example 2

SMILES: CN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO

InChI Key: InChIKey=HNQIUGWQCAEIMV-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 283131   
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
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM283131
PNG
(Rac-N-[1-{N′-cyano-N-[3-(difluoromethoxy)phe...)
Show SMILES CN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1S/C21H18Cl2F2N6O3/c1-30(18(33)10-32)17-9-31(29-19(17)12-5-6-15(22)16(23)7-12)21(27-11-26)28-13-3-2-4-14(8-13)34-20(24)25/h2-8,17,20,32H,9-10H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
n/an/a 83.3n/an/an/an/a9.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...


US Patent US10023539 (2018)

More data for this
Ligand-Target Pair