BDBM283181 Rac-N-[1-{N′-cyano-N-[3-(difluoromethoxy)-4-fluorophenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide::US10023539, Example 22

SMILES: CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1ccc(F)c(OC(F)F)c1)=N/C#N)C(=O)CO

InChI Key: InChIKey=NZMJLHQORQSELK-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 283181   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283181 (Rac-N-[1-{N′-cyano-N-[3-(difluoromethoxy)-4-...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1ccc(F)c(OC(F)F)c1)=N/C#N)C(=O)CO |c:6| Show InChI InChI=1S/C22H19Cl2F3N6O3/c1-2-32(19(35)10-34)17-9-33(31-20(17)12-3-5-14(23)15(24)7-12)22(29-11-28)30-13-4-6-16(25)18(8-13)36-21(26)27/h3-8,17,21,34H,2,9-10H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64.8	n/a	n/a	n/a	n/a	9.0	n/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) BindingDB Entry DOI: 10.7270/Q2MG7RKD
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