Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'N-acylethanolamine-hydrolyzing acid amidase' and Ligand = 'BDBM430282'   

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
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM430282 (US10556892, Compound 19 | US10556892, Compound 8) Show SMILES CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California; Fondazione Istituto Italiano di Technologia US Patent					Assay Description HEK293 cells stably transfected with the human NAAA coding sequence cloned from a human spleen cDNA library (catalog no. 639124, Clontech, Mountain V...				US Patent US10556892 (2020) BindingDB Entry DOI: 10.7270/Q2V40XM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM430282 (US10556892, Compound 19 | US10556892, Compound 8) Show SMILES CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California; Fondazione Istituto Italiano di Technologia US Patent					Assay Description HEK293 cells stably transfected with the human NAAA coding sequence cloned from a human spleen cDNA library (catalog no. 639124, Clontech, Mountain V...				US Patent US10556892 (2020) BindingDB Entry DOI: 10.7270/Q2V40XM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM430282 (US10556892, Compound 19 | US10556892, Compound 8) Show SMILES CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human NAAA				J Med Chem 63: 7475-7490 (2020) Article DOI: 10.1021/acs.jmedchem.0c00191 BindingDB Entry DOI: 10.7270/Q2V98CM4
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM430282 (US10556892, Compound 19 | US10556892, Compound 8) Show SMILES CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of NAAA (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115195 BindingDB Entry DOI: 10.7270/Q2K35Z63
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM430282 (US10556892, Compound 19 | US10556892, Compound 8) Show SMILES CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California; Fondazione Istituto Italiano di Technologia US Patent					Assay Description HEK293 cells stably transfected with the human NAAA coding sequence cloned from a human spleen cDNA library (catalog no. 639124, Clontech, Mountain V...				US Patent US10556892 (2020) BindingDB Entry DOI: 10.7270/Q2V40XM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acylethanolamine-hydrolyzing acid amidase (Homo sapiens (Human))	BDBM430282 (US10556892, Compound 19 | US10556892, Compound 8) Show SMILES CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	554	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California; Fondazione Istituto Italiano di Technologia US Patent					Assay Description HEK293 cells stably transfected with the human NAAA coding sequence cloned from a human spleen cDNA library (catalog no. 639124, Clontech, Mountain V...				US Patent US10556892 (2020) BindingDB Entry DOI: 10.7270/Q2V40XM0
					More data for this Ligand-Target Pair				3D Structure (crystal)