BDBM50075099 CHEMBL580421::TCMDC-124224

SMILES: CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc21

InChI Key: InChIKey=BAQXWJQSUXZVIP-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50075099   

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
SET domain-containing protein 8 (SetD8) (Homo sapiens (Human))	BDBM50075099 (CHEMBL580421 | TCMDC-124224) Show SMILES CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc21 |c:5,8| Show InChI InChI=1S/C14H11NO3/c1-14(2)9-10(15-13(14)18)7-5-3-4-6-8(7)11(16)12(9)17/h3-6,17H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human SETD8 (191 to 352) assessed as incorporation of [3H]-methyl group from [3H-Me]-SAM to biotinylated H4K20 p...				J Med Chem 58: 1596-629 (2015) Article DOI: 10.1021/jm501234a BindingDB Entry DOI: 10.7270/Q28K7BS2
					More data for this Ligand-Target Pair
SET domain-containing protein 8 (SetD8) (Homo sapiens (Human))	BDBM50075099 (CHEMBL580421 | TCMDC-124224) Show SMILES CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc21 |c:5,8| Show InChI InChI=1S/C14H11NO3/c1-14(2)9-10(15-13(14)18)7-5-3-4-6-8(7)11(16)12(9)17/h3-6,17H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<5.00E+3	n/a	n/a	n/a	n/a
The Center for Combinatorial Chemistry and Drug Discovery of Jilin University Curated by ChEMBL					Assay Description Inhibition of SETD8 in HEK293T cells assessed as reduction in H4K20me level after 2 to 3 days by Western blot analysis				Bioorg Med Chem Lett 26: 4436-4440 (2016) Article DOI: 10.1016/j.bmcl.2016.08.004
					More data for this Ligand-Target Pair
SET domain-containing protein 8 (SetD8) (Homo sapiens (Human))	BDBM50075099 (CHEMBL580421 | TCMDC-124224) Show SMILES CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc21 |c:5,8| Show InChI InChI=1S/C14H11NO3/c1-14(2)9-10(15-13(14)18)7-5-3-4-6-8(7)11(16)12(9)17/h3-6,17H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
The Center for Combinatorial Chemistry and Drug Discovery of Jilin University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human SETD8 (191 to 352 residues) expressed in Escherichia coli Rosseta-2(DE3) cells using histone peptide subst...				Bioorg Med Chem Lett 26: 4436-4440 (2016) Article DOI: 10.1016/j.bmcl.2016.08.004
					More data for this Ligand-Target Pair