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SMILES: Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1

InChI Key: InChIKey=KRCUOVZXEJFNAE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50464671   

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))	BDBM50464671 (CHEMBL3621615) Show SMILES Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1 Show InChI InChI=1S/C15H14ClN5O/c16-12-7-4-8-13(22-10-5-2-1-3-6-10)11(12)9-18-15-19-14(17)20-21-15/h1-8H,9H2,(H4,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Competitive inhibition of LSD1 (unknown origin) incubated for 30 mins using H3K4me2 substrate by fluorescence based assay				Medchemcomm 5: 1863-1870 (2014) Article DOI: 10.1039/c4md00283k BindingDB Entry DOI: 10.7270/Q2Q81H3T
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50464671 (CHEMBL3621615) Show SMILES Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1 Show InChI InChI=1S/C15H14ClN5O/c16-12-7-4-8-13(22-10-5-2-1-3-6-10)11(12)9-18-15-19-14(17)20-21-15/h1-8H,9H2,(H4,17,18,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of MAOA (unknown origin) by luminiscent assay				Medchemcomm 5: 1863-1870 (2014) Article DOI: 10.1039/c4md00283k BindingDB Entry DOI: 10.7270/Q2Q81H3T
					More data for this Ligand-Target Pair
Spermine oxidase (Homo sapiens (Human))	BDBM50464671 (CHEMBL3621615) Show SMILES Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1 Show InChI InChI=1S/C15H14ClN5O/c16-12-7-4-8-13(22-10-5-2-1-3-6-10)11(12)9-18-15-19-14(17)20-21-15/h1-8H,9H2,(H4,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
REST corepressor 1 (Homo sapiens (Human))	BDBM50464671 (CHEMBL3621615) Show SMILES Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1 Show InChI InChI=1S/C15H14ClN5O/c16-12-7-4-8-13(22-10-5-2-1-3-6-10)11(12)9-18-15-19-14(17)20-21-15/h1-8H,9H2,(H4,17,18,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1/CoREST (unknown origin) assessed as residual activity for 30 mins to 4 hrs by fluorescence based assay relative to con...				Medchemcomm 5: 1863-1870 (2014) Article DOI: 10.1039/c4md00283k BindingDB Entry DOI: 10.7270/Q2Q81H3T
					More data for this Ligand-Target Pair
REST corepressor 1 (Homo sapiens (Human))	BDBM50464671 (CHEMBL3621615) Show SMILES Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1 Show InChI InChI=1S/C15H14ClN5O/c16-12-7-4-8-13(22-10-5-2-1-3-6-10)11(12)9-18-15-19-14(17)20-21-15/h1-8H,9H2,(H4,17,18,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	1.10E+3	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))	BDBM50464671 (CHEMBL3621615) Show SMILES Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1 Show InChI InChI=1S/C15H14ClN5O/c16-12-7-4-8-13(22-10-5-2-1-3-6-10)11(12)9-18-15-19-14(17)20-21-15/h1-8H,9H2,(H4,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of LSD1 (unknown origin)				Eur J Med Chem 144: 52-67 (2018) Article DOI: 10.1016/j.ejmech.2017.12.001 BindingDB Entry DOI: 10.7270/Q20V8GGB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50464671 (CHEMBL3621615) Show SMILES Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1 Show InChI InChI=1S/C15H14ClN5O/c16-12-7-4-8-13(22-10-5-2-1-3-6-10)11(12)9-18-15-19-14(17)20-21-15/h1-8H,9H2,(H4,17,18,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of MAOB (unknown origin) by luminiscent assay				Medchemcomm 5: 1863-1870 (2014) Article DOI: 10.1039/c4md00283k BindingDB Entry DOI: 10.7270/Q2Q81H3T
					More data for this Ligand-Target Pair