BDBM50158844 CHEMBL3785491

SMILES: Oc1cc(cc2cccnc12)-c1cccc(c1)C(=O)NCCCc1ccccc1

InChI Key: InChIKey=NYKBXXGHEMXSBB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50158844   

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 4B (Homo sapiens (Human))	BDBM50158844 (CHEMBL3785491) Show SMILES Oc1cc(cc2cccnc12)-c1cccc(c1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C25H22N2O2/c28-23-17-22(16-20-12-6-13-26-24(20)23)19-10-4-11-21(15-19)25(29)27-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17,28H,5,9,14H2,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using H3K4me3 as substrate				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158844 (CHEMBL3785491) Show SMILES Oc1cc(cc2cccnc12)-c1cccc(c1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C25H22N2O2/c28-23-17-22(16-20-12-6-13-26-24(20)23)19-10-4-11-21(15-19)25(29)27-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17,28H,5,9,14H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM4A (1 to 350 residues) (unknown origin) expressed in Escherichia coli using H3K4me3 as substrate				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158844 (CHEMBL3785491) Show SMILES Oc1cc(cc2cccnc12)-c1cccc(c1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C25H22N2O2/c28-23-17-22(16-20-12-6-13-26-24(20)23)19-10-4-11-21(15-19)25(29)27-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17,28H,5,9,14H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin)				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158844 (CHEMBL3785491) Show SMILES Oc1cc(cc2cccnc12)-c1cccc(c1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C25H22N2O2/c28-23-17-22(16-20-12-6-13-26-24(20)23)19-10-4-11-21(15-19)25(29)27-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17,28H,5,9,14H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM4C (1 to 350 residues) (unknown origin) expressed in Escherichia coli using H3K4me3 as substrate				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair