BDBM378459 N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-6-chloro-2-oxoindoline-5-carboxamide::US10266526, Compound 592
SMILES: Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1
InChI Key: InChIKey=SSDPURPCLGSTBN-NUNAXRQHSA-N
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)) | BDBM378459 (N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc. Curated by ChEMBL | Assay Description Non-competitive inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using varyin... | ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human)) | BDBM378459 (N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc. Curated by ChEMBL | Assay Description Mixed type inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using fixed N-ter... | ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N-lysine methyltransferase SMYD2 (Homo sapiens (Human)) | BDBM378459 (N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc. Curated by ChEMBL | Assay Description Inhibition of SMYD2 (unknown origin) | ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human)) | BDBM378459 (N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc. Curated by ChEMBL | Assay Description Inhibition of human SMYD3 expressed in HEK293T/17 cells using FLAG-tagged MEKK2 as substrate incubated for 30 mins in low air flow area followed by i... | ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human)) | BDBM378459 (N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 2.58 | n/a | n/a | n/a | n/a | n/a | n/a |
ENSCMu | 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.... | Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2DJ5HX2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human)) | BDBM378459 (N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc. Curated by ChEMBL | Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ... | ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR | |||||||||||
More data for this Ligand-Target Pair |