BDBM301025 4-[5-(4-fluorophenyl)-2-{[(3S)- pyrrolidin-3- ylmethyl]amino}pyrimidin-4- yl]benzonitrile::US10131664, Example 18::US10543198, Example 18::US10864202, Example 18

SMILES: Fc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N

InChI Key: InChIKey=KWWFNOWVKNSDMV-INIZCTEOSA-N

Data: 3 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 3 hits for monomerid = 301025   

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))	BDBM301025 (4-[5-(4-fluorophenyl)-2-{[(3S)- pyrrolidin-3- ylme...) Show SMILES Fc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r,$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C22H20FN5/c23-19-7-5-17(6-8-19)20-14-27-22(26-13-16-9-10-25-12-16)28-21(20)18-3-1-15(11-24)2-4-18/h1-8,14,16,25H,9-10,12-13H2,(H,26,27,28)/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	<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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM301025 (4-[5-(4-fluorophenyl)-2-{[(3S)- pyrrolidin-3- ylme...) Show SMILES Fc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r,$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C22H20FN5/c23-19-7-5-17(6-8-19)20-14-27-22(26-13-16-9-10-25-12-16)28-21(20)18-3-1-15(11-24)2-4-18/h1-8,14,16,25H,9-10,12-13H2,(H,26,27,28)/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 US10864202 (2020)
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM301025 (4-[5-(4-fluorophenyl)-2-{[(3S)- pyrrolidin-3- ylme...) Show SMILES Fc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r,$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C22H20FN5/c23-19-7-5-17(6-8-19)20-14-27-22(26-13-16-9-10-25-12-16)28-21(20)18-3-1-15(11-24)2-4-18/h1-8,14,16,25H,9-10,12-13H2,(H,26,27,28)/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 US10543198 (2020) BindingDB Entry DOI: 10.7270/Q29G5Q6H
					More data for this Ligand-Target Pair