Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 2994   

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
Monoacylglycerol lipase ABHD6 (Mus musculus (mouse))	BDBM26736 (CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...) Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.4	22
The Scripps Research Institute					Assay Description Serine hydrolase targets were recombinantly expressed in COS-7 cells by transient transfection. IC50 values were obtained by competitive ABPP with F...				J Am Chem Soc 128: 9699-704 (2006) Article DOI: 10.1021/ja062999h BindingDB Entry DOI: 10.7270/Q20K26VX
					More data for this Ligand-Target Pair
Monoglyceride lipase (Mus musculus (mouse))	BDBM26736 (CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...) Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	7.4	22
The Scripps Research Institute					Assay Description Serine hydrolase targets were recombinantly expressed in COS-7 cells by transient transfection. IC50 values were obtained by competitive ABPP with F...				J Am Chem Soc 128: 9699-704 (2006) Article DOI: 10.1021/ja062999h BindingDB Entry DOI: 10.7270/Q20K26VX
					More data for this Ligand-Target Pair
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM26736 (CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...) Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	7.4	22
The Scripps Research Institute					Assay Description Serine hydrolase targets were recombinantly expressed in COS-7 cells by transient transfection. IC50 values were obtained by competitive ABPP with F...				J Am Chem Soc 128: 9699-704 (2006) Article DOI: 10.1021/ja062999h BindingDB Entry DOI: 10.7270/Q20K26VX
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM26736 (CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...) Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	22
The Scripps Research Institute					Assay Description Mouse brain membrane proteomes were preincubated with varying concentrations of inhibitors for 10 min prior to the addition of a rhodamine-tagged flu...				J Am Chem Soc 128: 9699-704 (2006) Article DOI: 10.1021/ja062999h BindingDB Entry DOI: 10.7270/Q20K26VX
					More data for this Ligand-Target Pair