BDBM356677 US10214477, Example 52

SMILES: C[N]1(CCNCC1)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1

InChI Key: InChIKey=PBGATVIUTRVJSR-NIOIZWOTSA-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 = 356677   

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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM356677 (US10214477, Example 52) Show SMILES C[N]1(CCNCC1)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:23.25,wD:25.29,(-7.91,-1.36,;-9.24,-.59,;-10.57,-1.36,;-11.91,-.59,;-11.91,.95,;-10.57,1.72,;-9.24,.95,;-7.59,-1.54,;-8.54,-3.18,;-6.64,-3.18,;-5.95,-.59,;-4.3,-1.54,;-4.3,-3.08,;-2.97,-3.85,;-1.64,-3.08,;-1.64,-1.54,;-2.97,-.77,;-.3,-.77,;1.03,-1.54,;2.36,-.77,;2.36,.77,;1.03,1.54,;-.3,.77,;3.7,1.54,;4.47,2.87,;5.24,1.54,;6.57,.77,;7.91,1.54,;9.24,.77,;10.57,1.54,;10.57,3.08,;11.91,3.85,;9.24,3.85,;7.91,3.08,)| Show InChI InChI=1S/C26H38N5O2S/c1-31(15-13-28-14-16-31)34(32,33)30-24-4-2-3-21(17-24)19-5-7-20(8-6-19)25-18-26(25)29-23-11-9-22(27)10-12-23/h2-8,17,22-23,25-26,28-30H,9-16,18,27H2,1H3/t22?,23?,25-,26+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.78E+6	n/a	n/a	n/a	n/a	n/a	n/a
Oryzon Genomics S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...				US Patent US10214477 (2019) BindingDB Entry DOI: 10.7270/Q2ZS2ZTB
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM356677 (US10214477, Example 52) Show SMILES C[N]1(CCNCC1)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:23.25,wD:25.29,(-7.91,-1.36,;-9.24,-.59,;-10.57,-1.36,;-11.91,-.59,;-11.91,.95,;-10.57,1.72,;-9.24,.95,;-7.59,-1.54,;-8.54,-3.18,;-6.64,-3.18,;-5.95,-.59,;-4.3,-1.54,;-4.3,-3.08,;-2.97,-3.85,;-1.64,-3.08,;-1.64,-1.54,;-2.97,-.77,;-.3,-.77,;1.03,-1.54,;2.36,-.77,;2.36,.77,;1.03,1.54,;-.3,.77,;3.7,1.54,;4.47,2.87,;5.24,1.54,;6.57,.77,;7.91,1.54,;9.24,.77,;10.57,1.54,;10.57,3.08,;11.91,3.85,;9.24,3.85,;7.91,3.08,)| Show InChI InChI=1S/C26H38N5O2S/c1-31(15-13-28-14-16-31)34(32,33)30-24-4-2-3-21(17-24)19-5-7-20(8-6-19)25-18-26(25)29-23-11-9-22(27)10-12-23/h2-8,17,22-23,25-26,28-30H,9-16,18,27H2,1H3/t22?,23?,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Oryzon Genomics S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...				US Patent US10214477 (2019) BindingDB Entry DOI: 10.7270/Q2ZS2ZTB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM356677 (US10214477, Example 52) Show SMILES C[N]1(CCNCC1)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:23.25,wD:25.29,(-7.91,-1.36,;-9.24,-.59,;-10.57,-1.36,;-11.91,-.59,;-11.91,.95,;-10.57,1.72,;-9.24,.95,;-7.59,-1.54,;-8.54,-3.18,;-6.64,-3.18,;-5.95,-.59,;-4.3,-1.54,;-4.3,-3.08,;-2.97,-3.85,;-1.64,-3.08,;-1.64,-1.54,;-2.97,-.77,;-.3,-.77,;1.03,-1.54,;2.36,-.77,;2.36,.77,;1.03,1.54,;-.3,.77,;3.7,1.54,;4.47,2.87,;5.24,1.54,;6.57,.77,;7.91,1.54,;9.24,.77,;10.57,1.54,;10.57,3.08,;11.91,3.85,;9.24,3.85,;7.91,3.08,)| Show InChI InChI=1S/C26H38N5O2S/c1-31(15-13-28-14-16-31)34(32,33)30-24-4-2-3-21(17-24)19-5-7-20(8-6-19)25-18-26(25)29-23-11-9-22(27)10-12-23/h2-8,17,22-23,25-26,28-30H,9-16,18,27H2,1H3/t22?,23?,25-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oryzon Genomics S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...				US Patent US10214477 (2019) BindingDB Entry DOI: 10.7270/Q2ZS2ZTB
					More data for this Ligand-Target Pair