BDBM50273475 CHEMBL4126951

SMILES: CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)C)cc1

InChI Key: InChIKey=TXAGKIUQIJVRHA-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50273475   

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
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50273475 (CHEMBL4126951) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)C)cc1 Show InChI InChI=1S/C24H29NO3/c1-4-5-10-22-23(20-9-6-7-11-21(20)28-22)24(26)18-12-14-19(15-13-18)27-17-8-16-25(2)3/h6-7,9,11-15H,4-5,8,10,16-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5A (M1 to L801 residues) PHD2/3 deletion mutant (unknown origin) demethylation activity preincubated for 10 mins followed by peptide...				Bioorg Med Chem 26: 2984-2991 (2018) Article DOI: 10.1016/j.bmc.2018.03.030 BindingDB Entry DOI: 10.7270/Q2N01912
					More data for this Ligand-Target Pair
Lysine-specific demethylase 7A/7B (Homo sapiens (Human))	BDBM50273475 (CHEMBL4126951) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)C)cc1 Show InChI InChI=1S/C24H29NO3/c1-4-5-10-22-23(20-9-6-7-11-21(20)28-22)24(26)18-12-14-19(15-13-18)27-17-8-16-25(2)3/h6-7,9,11-15H,4-5,8,10,16-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+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 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
					More data for this Ligand-Target Pair
Lysine-specific demethylase PHF2 (Homo sapiens)	BDBM50273475 (CHEMBL4126951) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)C)cc1 Show InChI InChI=1S/C24H29NO3/c1-4-5-10-22-23(20-9-6-7-11-21(20)28-22)24(26)18-12-14-19(15-13-18)27-17-8-16-25(2)3/h6-7,9,11-15H,4-5,8,10,16-17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+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
					More data for this Ligand-Target Pair
Lysine-specific demethylase 7A/7B (Homo sapiens (Human))	BDBM50273475 (CHEMBL4126951) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)C)cc1 Show InChI InChI=1S/C24H29NO3/c1-4-5-10-22-23(20-9-6-7-11-21(20)28-22)24(26)18-12-14-19(15-13-18)27-17-8-16-25(2)3/h6-7,9,11-15H,4-5,8,10,16-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.97E+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
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50273475 (CHEMBL4126951) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)C)cc1 Show InChI InChI=1S/C24H29NO3/c1-4-5-10-22-23(20-9-6-7-11-21(20)28-22)24(26)18-12-14-19(15-13-18)27-17-8-16-25(2)3/h6-7,9,11-15H,4-5,8,10,16-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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
					More data for this Ligand-Target Pair
Lysine-specific demethylase 7 (Homo sapiens (Human))	BDBM50273475 (CHEMBL4126951) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)C)cc1 Show InChI InChI=1S/C24H29NO3/c1-4-5-10-22-23(20-9-6-7-11-21(20)28-22)24(26)18-12-14-19(15-13-18)27-17-8-16-25(2)3/h6-7,9,11-15H,4-5,8,10,16-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+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 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
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50273475 (CHEMBL4126951) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)C)cc1 Show InChI InChI=1S/C24H29NO3/c1-4-5-10-22-23(20-9-6-7-11-21(20)28-22)24(26)18-12-14-19(15-13-18)27-17-8-16-25(2)3/h6-7,9,11-15H,4-5,8,10,16-17H2,1-3H3	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+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 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
					More data for this Ligand-Target Pair