BDBM50158791 CHEMBL3786596::US10179769, Example 42::US10807956, Example 42::US9611221, Example 42::US9725441, Example 42::US9828343, Example 42

SMILES: OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=TUXVCHDESZTZON-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 = 50158791   

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))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 4C (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...				US Patent US10807956 (2020)
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 US9611221 (2017) BindingDB Entry DOI: 10.7270/Q26975NT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 US9611221 (2017) BindingDB Entry DOI: 10.7270/Q26975NT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...				US Patent US9611221 (2017) BindingDB Entry DOI: 10.7270/Q26975NT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 US9725441 (2017) BindingDB Entry DOI: 10.7270/Q29Z971T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 US9725441 (2017) BindingDB Entry DOI: 10.7270/Q29Z971T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...				US Patent US9725441 (2017) BindingDB Entry DOI: 10.7270/Q29Z971T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 US10179769 (2019) BindingDB Entry DOI: 10.7270/Q2J38VPZ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 US10179769 (2019) BindingDB Entry DOI: 10.7270/Q2J38VPZ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...				US Patent US10179769 (2019) BindingDB Entry DOI: 10.7270/Q2J38VPZ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description Jarid1A Assay: The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ab...				US Patent US9828343 (2017) BindingDB Entry DOI: 10.7270/Q2ST7S40
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description Jarid1B: The ability of test compounds to inhibit the activity of Jarid1B was determined in 384 well plate format under the following reaction condit...				US Patent US9828343 (2017) BindingDB Entry DOI: 10.7270/Q2ST7S40
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 JMJD2C: The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditio...				US Patent US9828343 (2017) BindingDB Entry DOI: 10.7270/Q2ST7S40
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 US10807956 (2020)
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 US10807956 (2020)
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50158791 (CHEMBL3786596 | US10179769, Example 42 | US1080795...) Show SMILES OC(=O)c1ccncc1NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:16.17.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12| Show InChI InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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