BDBM321289 N-((1r,4r)-4-acrylamidocyclohexyl)-5- cyclopropylisoxazole-3-carboxamide::US10179773, Compound 3::US10669243, Compound 3

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

InChI Key: InChIKey=YWQNUEWPEZGQPH-HAQNSBGRSA-N

Data: 2 IC50

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 = 321289   

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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM321289 (N-((1r,4r)-4-acrylamidocyclohexyl)-5- cyclopropyli...) Show SMILES C=CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(8.62,-1.78,;7.29,-2.55,;5.96,-1.78,;5.96,-.24,;4.62,-2.55,;3.29,-1.78,;1.95,-2.55,;.62,-1.78,;.62,-.24,;1.95,.53,;3.29,-.24,;-.71,.53,;-2.05,-.24,;-2.05,-1.78,;-3.38,.53,;-4.84,.06,;-5.75,1.3,;-4.84,2.55,;-3.38,2.07,;-7.29,1.3,;-8.62,.53,;-8.62,2.07,)| Show InChI InChI=1S/C16H21N3O3/c1-2-15(20)17-11-5-7-12(8-6-11)18-16(21)13-9-14(22-19-13)10-3-4-10/h2,9-12H,1,3-8H2,(H,17,20)(H,18,21)/t11-,12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.41E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM321289 (N-((1r,4r)-4-acrylamidocyclohexyl)-5- cyclopropyli...) Show SMILES C=CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:5.4,wD:8.11,(8.62,-1.78,;7.29,-2.55,;5.96,-1.78,;5.96,-.24,;4.62,-2.55,;3.29,-1.78,;1.95,-2.55,;.62,-1.78,;.62,-.24,;1.95,.53,;3.29,-.24,;-.71,.53,;-2.05,-.24,;-2.05,-1.78,;-3.38,.53,;-4.84,.06,;-5.75,1.3,;-4.84,2.55,;-3.38,2.07,;-7.29,1.3,;-8.62,.53,;-8.62,2.07,)| Show InChI InChI=1S/C16H21N3O3/c1-2-15(20)17-11-5-7-12(8-6-11)18-16(21)13-9-14(22-19-13)10-3-4-10/h2,9-12H,1,3-8H2,(H,17,20)(H,18,21)/t11-,12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.41E+4	n/a	n/a	n/a	n/a	n/a	n/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