Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50006311   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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
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))	BDBM50498660 (CHEMBL1605826) Show SMILES COc1ccccc1CNc1n[nH]c(NCc2ccccc2OC)n1 Show InChI InChI=1S/C18H21N5O2/c1-24-15-9-5-3-7-13(15)11-19-17-21-18(23-22-17)20-12-14-8-4-6-10-16(14)25-2/h3-10H,11-12H2,1-2H3,(H3,19,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.22E+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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50236898 ((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...) Show SMILES N[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+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 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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50236898 ((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...) Show SMILES N[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+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 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
REST corepressor 1 (Homo sapiens (Human))	BDBM50236898 ((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...) Show SMILES N[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.07E+4	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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50498660 (CHEMBL1605826) Show SMILES COc1ccccc1CNc1n[nH]c(NCc2ccccc2OC)n1 Show InChI InChI=1S/C18H21N5O2/c1-24-15-9-5-3-7-13(15)11-19-17-21-18(23-22-17)20-12-14-8-4-6-10-16(14)25-2/h3-10H,11-12H2,1-2H3,(H3,19,20,21,22,23)	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
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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50498660 (CHEMBL1605826) Show SMILES COc1ccccc1CNc1n[nH]c(NCc2ccccc2OC)n1 Show InChI InChI=1S/C18H21N5O2/c1-24-15-9-5-3-7-13(15)11-19-17-21-18(23-22-17)20-12-14-8-4-6-10-16(14)25-2/h3-10H,11-12H2,1-2H3,(H3,19,20,21,22,23)	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
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