BDBM50158695 CHEMBL3787664::US10273222, Example 16

SMILES: Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O

InChI Key: InChIKey=MWJQMQXBUJYTHO-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50158695   

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))	BDBM50158695 (CHEMBL3787664 | US10273222, Example 16) Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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 2B (Homo sapiens (Human))	BDBM50158695 (CHEMBL3787664 | US10273222, Example 16) Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 su...				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))	BDBM50158695 (CHEMBL3787664 | US10273222, Example 16) Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay				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))	BDBM50158695 (CHEMBL3787664 | US10273222, Example 16) Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 KDM5B in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Homo sapiens lysine demethylase 2B (KDM2B) (Homo sapiens (Human))	BDBM50158695 (CHEMBL3787664 | US10273222, Example 16) Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...				J Med Chem 51: 5502-5 (2008) BindingDB Entry DOI: 10.7270/Q2DF6THR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158695 (CHEMBL3787664 | US10273222, Example 16) Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50158695 (CHEMBL3787664 | US10273222, Example 16) Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					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 51: 5502-5 (2008) BindingDB Entry DOI: 10.7270/Q2DF6THR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158695 (CHEMBL3787664 | US10273222, Example 16) Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					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 51: 5502-5 (2008) BindingDB Entry DOI: 10.7270/Q2DF6THR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158695 (CHEMBL3787664 | US10273222, Example 16) Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					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 51: 5502-5 (2008) BindingDB Entry DOI: 10.7270/Q2DF6THR
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158695 (CHEMBL3787664 | US10273222, Example 16) Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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