BindingDB PrimarySearch

BDBM92787 WAG-003

SMILES: CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[N+](C)(C)C)c(I)c1

InChI Key: InChIKey=CPUKLBDTNMMBMC-UHFFFAOYSA-N

Data: 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 92787
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM92787 (WAG-003) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin					Assay Description IC50 values of aminodarone analogues using JARID1A PHD3.				Biochemistry 51: 8293-306 (2012) Article DOI: 10.1021/bi3009278 BindingDB Entry DOI: 10.7270/Q2028Q4T
University of Wisconsin					More data for this Ligand-Target Pair
Lysine-specific demethylase 7A/7B (Homo sapiens (Human))	BDBM92787 (WAG-003) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7B (PHD) (unknown origin) preincubated for 15 mins followed by p...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM92787 (WAG-003) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from recombinant His6-tagged human KDM5A (PHD3) (1542 to 1660 residues) ...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM92787 (WAG-003) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of recombinant HQ5-Halo-tagged JARID1A PHD3 finger domain (unknown origin) expressed in BL21(DE3)pLysS cells after 1 hr by chemiluminescen...				Eur J Med Chem 136: 14-35 (2017) Article DOI: 10.1016/j.ejmech.2017.04.047 BindingDB Entry DOI: 10.7270/Q2F76G3G
University of Connecticut Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM92787 (WAG-003) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K4me3 binding to Halo-tagged GST-fused KDM5A PHD3 domain (unknown origin) expressed in Escherichia coli by HaloTag-based peptide di...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase PHF2 (Homo sapiens)	BDBM92787 (WAG-003) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7C (PHD) (unknown origin) preincubated for 15 mins followed by p...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 7 (Homo sapiens (Human))	BDBM92787 (WAG-003) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair