null

SMILES: CN(C)C1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1

InChI Key:

PDB links: 1 PDB ID matches this monomer.

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 = 50582894   

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 SETD2 (Homo sapiens (Human))	BDBM50582894 (CHEMBL5076615) Show SMILES CN(C)C1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00272 BindingDB Entry DOI: 10.7270/Q2Z03D29
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase SETD2 (Homo sapiens (Human))	BDBM50582894 (CHEMBL5076615) Show SMILES CN(C)C1CCN(CC1)c1cccc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00272 BindingDB Entry DOI: 10.7270/Q2Z03D29
					More data for this Ligand-Target Pair				3D Structure (crystal)