BDBM301012 4-[5-(4-fluorophenyl)-1-[[(3S)- pyrrolidin-3-yl]methyl]pyrrolo[3,2- b]pyridin-6-yl]benzonitrile::US10131664, Example 5::US10543198, Example 5::US10864202, Example 5

SMILES: Fc1ccc(cc1)-c1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(cc1)C#N

InChI Key: InChIKey=ILQBKIHHIXGQML-SFHVURJKSA-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 = 301012   

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))	BDBM301012 (4-[5-(4-fluorophenyl)-1-[[(3S)- pyrrolidin-3-yl]me...) Show SMILES Fc1ccc(cc1)-c1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H21FN4/c26-21-7-5-20(6-8-21)25-22(19-3-1-17(14-27)2-4-19)13-24-23(29-25)10-12-30(24)16-18-9-11-28-15-18/h1-8,10,12-13,18,28H,9,11,15-16H2/t18-/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))	BDBM301012 (4-[5-(4-fluorophenyl)-1-[[(3S)- pyrrolidin-3-yl]me...) Show SMILES Fc1ccc(cc1)-c1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H21FN4/c26-21-7-5-20(6-8-21)25-22(19-3-1-17(14-27)2-4-19)13-24-23(29-25)10-12-30(24)16-18-9-11-28-15-18/h1-8,10,12-13,18,28H,9,11,15-16H2/t18-/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))	BDBM301012 (4-[5-(4-fluorophenyl)-1-[[(3S)- pyrrolidin-3-yl]me...) Show SMILES Fc1ccc(cc1)-c1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H21FN4/c26-21-7-5-20(6-8-21)25-22(19-3-1-17(14-27)2-4-19)13-24-23(29-25)10-12-30(24)16-18-9-11-28-15-18/h1-8,10,12-13,18,28H,9,11,15-16H2/t18-/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