Compile Data Set for Download or QSAR

Found 194 hits with Last Name = 'nuzzi' and Initial = 'a'   

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 demethylase 5B (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A [1-801] (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151154 (CHEMBL3770896) Show SMILES CCCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1 |r| Show InChI InChI=1S/C15H20N2O3/c1-2-3-4-11-5-7-12(8-6-11)10-20-15(19)17-13-9-16-14(13)18/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells after 30 mins by UPLC/MS analysis				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151242 (CHEMBL3770525) Show SMILES O=C(N[C@H]1CNC1=O)OCc1ccc(cc1)C1CCCCC1 |r| Show InChI InChI=1S/C17H22N2O3/c20-16-15(10-18-16)19-17(21)22-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11H2,(H,18,20)(H,19,21)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells after 30 mins by UPLC/MS analysis				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C [1-765] (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D [1-775] (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50577403 (CHEMBL4878464) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(COCC)cc1)N2S(=O)(=O)c1c(C)n[nH]c1C |r,TLB:9:7:20:2.3| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells using PAMCA as fluorogenic substrate preincubated for 30 mins followed by substrate ad...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00575 BindingDB Entry DOI: 10.7270/Q2P272ZJ
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50577404 (CHEMBL4864438) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1cnc(CCCC)cn1)N2S(=O)(=O)c1c(C)n[nH]c1C |r,TLB:9:7:20:2.3| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells using PAMCA as fluorogenic substrate preincubated for 30 mins followed by substrate ad...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00575 BindingDB Entry DOI: 10.7270/Q2P272ZJ
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50577396 (CHEMBL4863119) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(CCCCCC)cc1)N2S(=O)(=O)c1c(C)n[nH]c1C |r,TLB:9:7:22:2.3| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells using PAMCA as fluorogenic substrate preincubated for 30 mins followed by substrate ad...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00575 BindingDB Entry DOI: 10.7270/Q2P272ZJ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151055 (CHEMBL3771111) Show SMILES CCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1 |r| Show InChI InChI=1S/C13H16N2O3/c1-2-9-3-5-10(6-4-9)8-18-13(17)15-11-7-14-12(11)16/h3-6,11H,2,7-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells after 30 mins by UPLC/MS analysis				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151154 (CHEMBL3770896) Show SMILES CCCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1 |r| Show InChI InChI=1S/C15H20N2O3/c1-2-3-4-11-5-7-12(8-6-11)10-20-15(19)17-13-9-16-14(13)18/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addi...				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50577394 (CHEMBL4848541) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(CCCC)cc1)N2S(=O)(=O)c1c(C)n[nH]c1C |r,TLB:9:7:20:2.3| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells using PAMCA as fluorogenic substrate preincubated for 30 mins followed by substrate ad...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00575 BindingDB Entry DOI: 10.7270/Q2P272ZJ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A [1-801] (Homo sapiens (Human))	BDBM195612 (GSK467) Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12 Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM195612 (GSK467) Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12 Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151057 (CHEMBL3770726) Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1 |r| Show InChI InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells after 30 mins by UPLC/MS analysis				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151155 (CHEMBL3769844) Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCC1 |r| Show InChI InChI=1S/C13H22N2O3/c16-12-11(9-14-12)15-13(17)18-8-4-3-7-10-5-1-2-6-10/h10-11H,1-9H2,(H,14,16)(H,15,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addi...				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50577388 (CHEMBL4871884) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(C)cc1)N2S(=O)(=O)c1c(C)n[nH]c1C |r,TLB:9:7:17:2.3| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells using PAMCA as fluorogenic substrate preincubated for 30 mins followed by substrate ad...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00575 BindingDB Entry DOI: 10.7270/Q2P272ZJ
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151240 (CHEMBL3770558) Show SMILES CCCCCCCCOC(=O)N[C@H]1CNC1=O |r| Show InChI InChI=1S/C12H22N2O3/c1-2-3-4-5-6-7-8-17-12(16)14-10-9-13-11(10)15/h10H,2-9H2,1H3,(H,13,15)(H,14,16)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addi...				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151242 (CHEMBL3770525) Show SMILES O=C(N[C@H]1CNC1=O)OCc1ccc(cc1)C1CCCCC1 |r| Show InChI InChI=1S/C17H22N2O3/c20-16-15(10-18-16)19-17(21)22-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11H2,(H,18,20)(H,19,21)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addi...				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50577405 (CHEMBL4875895) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1cnc(COCC)cn1)N2S(=O)(=O)c1c(C)n[nH]c1C |r,TLB:9:7:20:2.3| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells using PAMCA as fluorogenic substrate preincubated for 30 mins followed by substrate ad...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00575 BindingDB Entry DOI: 10.7270/Q2P272ZJ
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151239 (CHEMBL3769455) Show SMILES O=C(N[C@H]1CNC1=O)OCCCC1CCCCC1 |r| Show InChI InChI=1S/C13H22N2O3/c16-12-11(9-14-12)15-13(17)18-8-4-7-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,16)(H,15,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addi...				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151096 (CHEMBL3769689) Show SMILES CCCOc1ccc(COC(=O)N[C@H]2CNC2=O)cc1 |r| Show InChI InChI=1S/C14H18N2O4/c1-2-7-19-11-5-3-10(4-6-11)9-20-14(18)16-12-8-15-13(12)17/h3-6,12H,2,7-9H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells after 30 mins by UPLC/MS analysis				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151234 (CHEMBL3770490) Show SMILES O=C(N[C@H]1CNC1=O)OCCCCCC1CCCCC1 |r| Show InChI InChI=1S/C15H26N2O3/c18-14-13(11-16-14)17-15(19)20-10-6-2-5-9-12-7-3-1-4-8-12/h12-13H,1-11H2,(H,16,18)(H,17,19)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addi...				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50577392 (CHEMBL4875599) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(CC)cc1)N2S(=O)(=O)c1c(C)n[nH]c1C |r,TLB:9:7:18:2.3| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells using PAMCA as fluorogenic substrate preincubated for 30 mins followed by substrate ad...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00575 BindingDB Entry DOI: 10.7270/Q2P272ZJ
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151237 (CHEMBL3770240) Show SMILES CCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1 |r| Show InChI InChI=1S/C14H18N2O3/c1-2-3-10-4-6-11(7-5-10)9-19-14(18)16-12-8-15-13(12)17/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addi...				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C [1-765] (Homo sapiens (Human))	BDBM195612 (GSK467) Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12 Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151232 (CHEMBL3769763) Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCOCC1 |r| Show InChI InChI=1S/C13H22N2O4/c16-12-11(9-14-12)15-13(17)19-6-2-1-3-10-4-7-18-8-5-10/h10-11H,1-9H2,(H,14,16)(H,15,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addi...				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151057 (CHEMBL3770726) Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1 |r| Show InChI InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151149 (CHEMBL3769639) Show SMILES FC(F)(F)c1ccc(CCCCOC(=O)N[C@H]2CNC2=O)cc1 |r| Show InChI InChI=1S/C15H17F3N2O3/c16-15(17,18)11-6-4-10(5-7-11)3-1-2-8-23-14(22)20-12-9-19-13(12)21/h4-7,12H,1-3,8-9H2,(H,19,21)(H,20,22)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addi...				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151220 (CHEMBL3769678) Show SMILES FC1(F)CCC(CCCCOC(=O)N[C@H]2CNC2=O)CC1 |r| Show InChI InChI=1S/C14H22F2N2O3/c15-14(16)6-4-10(5-7-14)3-1-2-8-21-13(20)18-11-9-17-12(11)19/h10-11H,1-9H2,(H,17,19)(H,18,20)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells after 30 mins by UPLC/MS analysis				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D [1-775] (Homo sapiens (Human))	BDBM195612 (GSK467) Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12 Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50151055 (CHEMBL3771111) Show SMILES CCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1 |r| Show InChI InChI=1S/C13H16N2O3/c1-2-9-3-5-10(6-4-9)8-18-13(17)15-11-7-14-12(11)16/h3-6,11H,2,7-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Italian Institute of Technology Curated by ChEMBL					Assay Description Binding affinity to his-tagged human BRD4 bromodomain1 by isothermal titration calorimetric analysis				Eur J Med Chem 111: 138-59 (2016) Article DOI: 10.1016/j.ejmech.2016.01.046 BindingDB Entry DOI: 10.7270/Q2GQ70MX
					More data for this Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM50577386 (CHEMBL4861341) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccccc1)N2S(=O)(=O)c1c(C)n[nH]c1C |r,TLB:9:7:16:2.3| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human NAAA expressed in HEK293 cells using PAMCA as fluorogenic substrate preincubated for 30 mins followed by substrate ad...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00575 BindingDB Entry DOI: 10.7270/Q2P272ZJ
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM223318 (KDOAM-28) Show SMILES CCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair

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