BDBM283271 2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(methyl-(3S)-pyrrolidin- 3-ylmethyl-amino)-6-oxo-1,6-dihydro- pyrimidin-4-yl]-benzonitrile::US10023543, Example 54::US10207999, Example 54::US10328077, Example 54::US10548896, Example 54::US10849898, Example 54::US10960005, Example 54::US9573930, Example 54::US9771329, Example 54::US9776974, Example 54

SMILES: COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1

InChI Key: InChIKey=KNXICVFITPFLMG-INIZCTEOSA-N

Data: 11 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 12 hits for monomerid = 283271   

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))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	25
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 US10023543 (2018) BindingDB Entry DOI: 10.7270/Q2GQ70TM
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	25
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 US9573930 (2017) BindingDB Entry DOI: 10.7270/Q2H70HV3
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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 enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...				US Patent US9776974 (2017) BindingDB Entry DOI: 10.7270/Q2BZ686N
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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 enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...				US Patent US9771329 (2017) BindingDB Entry DOI: 10.7270/Q2NG4SR7
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...				Bioorg Med Chem 17: 7324-36 (2009) BindingDB Entry DOI: 10.7270/Q2W66P3N
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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 To analyze LSD1 inhibitor efficacy in cells, a CD11b flow cytometry assay was performed. LSD1 inhibition induces CD11b expression in THP-1 (AML) cell...				US Patent US10207999 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5HRT
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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 This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...				US Patent US10543213 (2020) BindingDB Entry DOI: 10.7270/Q2X63QBC
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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 This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...				US Patent US10548896 (2020) BindingDB Entry DOI: 10.7270/Q29889CV
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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 This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...				US Patent US10849898 (2020)
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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 enzymatic assay of LSD-1 activity is based on Tnne Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties...				US Patent US10960005 (2021)
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM283271 (2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...) Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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 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 US10207999 (2019) BindingDB Entry DOI: 10.7270/Q2DJ5HRT
					More data for this Ligand-Target Pair