BDBM50158755 CHEMBL3786579::US10173996, Example 109::US9604961, Example 109::US9714230, 109::US9908865, Example 109

SMILES: OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O

InChI Key: InChIKey=MAYCQAAYKTWJKJ-UHFFFAOYSA-N

Data: 18 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 18 hits for monomerid = 50158755   

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 4C (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 recombinant human N-terminal GST-tagged KDM4C (2 to 372 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 subs...				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of KDM5B (unknown origin) preincubated with enzyme				Bioorg Med Chem Lett 28: 1490-1494 (2018) Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-FLAG-tagged KDM5B (2 to 751 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3...				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))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	25
Celgene Quantical Research, Inc. US Patent					Assay Description The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...				US Patent US9714230 (2017) BindingDB Entry DOI: 10.7270/Q2CR5WC6
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	25
Celgene Quantical Research, Inc. US Patent					Assay Description The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...				US Patent US9714230 (2017) BindingDB Entry DOI: 10.7270/Q2CR5WC6
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	25
Celgene Quantical Research, Inc. US Patent					Assay Description The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...				US Patent US9714230 (2017) BindingDB Entry DOI: 10.7270/Q2CR5WC6
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...				US Patent US9604961 (2017) BindingDB Entry DOI: 10.7270/Q2KP847M
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...				US Patent US9604961 (2017) BindingDB Entry DOI: 10.7270/Q2KP847M
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...				US Patent US9604961 (2017) BindingDB Entry DOI: 10.7270/Q2KP847M
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...				US Patent US10173996 (2019) BindingDB Entry DOI: 10.7270/Q2CJ8GK0
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...				US Patent US10173996 (2019) BindingDB Entry DOI: 10.7270/Q2CJ8GK0
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...				US Patent US10173996 (2019) BindingDB Entry DOI: 10.7270/Q2CJ8GK0
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q29Z9762
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q29Z9762
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...				J Med Chem 50: 3359-68 (2007) BindingDB Entry DOI: 10.7270/Q29Z9762
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) preincubated with enzyme				Bioorg Med Chem Lett 28: 1490-1494 (2018) Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of KDM4C (unknown origin) preincubated with enzyme				Bioorg Med Chem Lett 28: 1490-1494 (2018) Article DOI: 10.1016/j.bmcl.2018.03.083 BindingDB Entry DOI: 10.7270/Q26Q20W4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158755 (CHEMBL3786579 | US10173996, Example 109 | US960496...) Show SMILES OCCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair