BDBM50158880 CHEMBL3785783::US10131664, Example 16::US10543198, Example 16::US10864202, Example 16

SMILES: Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N

InChI Key: InChIKey=YCCRZPBTSZSNQO-SFHVURJKSA-N

Data: 5 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 5 hits for monomerid = 50158880   

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 histone demethylase 1A (Homo sapiens (Human))	BDBM50158880 (CHEMBL3785783 | US10131664, Example 16 | US1054319...) Show SMILES Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H23N5/c1-16-2-6-19(7-3-16)21-15-27-23(26-14-18-10-11-25-13-18)28-22(21)20-8-4-17(12-24)5-9-20/h2-9,15,18,25H,10-11,13-14H2,1H3,(H,26,27,28)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 full length human KDM1A expressed in Escherichia coli using biotin-H3K4me1 as substrate incubated for 1 hr by TR-FRET assay				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50158880 (CHEMBL3785783 | US10131664, Example 16 | US1054319...) Show SMILES Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H23N5/c1-16-2-6-19(7-3-16)21-15-27-23(26-14-18-10-11-25-13-18)28-22(21)20-8-4-17(12-24)5-9-20/h2-9,15,18,25H,10-11,13-14H2,1H3,(H,26,27,28)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 KDM1A in human THP1 cells assessed as inhibition of CD11b expressing cells incubated for 4 days by DAPI staining based flow cytometry				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50158880 (CHEMBL3785783 | US10131664, Example 16 | US1054319...) Show SMILES Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H23N5/c1-16-2-6-19(7-3-16)21-15-27-23(26-14-18-10-11-25-13-18)28-22(21)20-8-4-17(12-24)5-9-20/h2-9,15,18,25H,10-11,13-14H2,1H3,(H,26,27,28)/t18-/m0/s1	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
Celgene Quanticel Research, Inc. US Patent					Assay Description The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...				US Patent US10864202 (2020)
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50158880 (CHEMBL3785783 | US10131664, Example 16 | US1054319...) Show SMILES Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H23N5/c1-16-2-6-19(7-3-16)21-15-27-23(26-14-18-10-11-25-13-18)28-22(21)20-8-4-17(12-24)5-9-20/h2-9,15,18,25H,10-11,13-14H2,1H3,(H,26,27,28)/t18-/m0/s1	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
Celgene Quanticel Research, Inc. US Patent					Assay Description This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...				US Patent US10543198 (2020) BindingDB Entry DOI: 10.7270/Q29G5Q6H
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50158880 (CHEMBL3785783 | US10131664, Example 16 | US1054319...) Show SMILES Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H23N5/c1-16-2-6-19(7-3-16)21-15-27-23(26-14-18-10-11-25-13-18)28-22(21)20-8-4-17(12-24)5-9-20/h2-9,15,18,25H,10-11,13-14H2,1H3,(H,26,27,28)/t18-/m0/s1	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	<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 LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...				US Patent US10131664 (2018) BindingDB Entry DOI: 10.7270/Q2JD4ZV1
					More data for this Ligand-Target Pair