Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Carboxylesterase 1D'   

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
Carboxylesterase 1D (Mus musculus)	BDBM50448896 (CHEMBL3125307) Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1 Show InChI InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse heart membrane TGH preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence sc...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair
Carboxylesterase 1D (Mus musculus)	BDBM50448897 (CHEMBL3125304) Show SMILES BrCc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C22H23BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16H,1-2,4,7-8,11,14H2	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse heart membrane TGH preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence sc...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair
Carboxylesterase 1D (Mus musculus)	BDBM50448893 (CHEMBL3125287) Show SMILES CS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 |w:4.3| Show InChI InChI=1S/C24H26N2O4S/c1-31(28,29)16-15-20-13-14-21(25-17-20)23-18-26-24(30-23)22(27)12-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-11,13-18H,2-3,5,8-9,12H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse heart membrane TGH preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence sc...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair
Carboxylesterase 1D (Mus musculus)	BDBM50448895 (CHEMBL3125310) Show SMILES COC(=N)Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C24H27N3O3/c1-29-23(25)15-19-13-14-20(26-16-19)22-17-27-24(30-22)21(28)12-8-3-2-5-9-18-10-6-4-7-11-18/h4,6-7,10-11,13-14,16-17,25H,2-3,5,8-9,12,15H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse heart membrane TGH preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence sc...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair
Carboxylesterase 1D (Mus musculus)	BDBM50448892 (CHEMBL3125288) Show SMILES CS(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 |w:3.2| Show InChI InChI=1S/C24H26N2O3S/c1-30(28)16-15-20-13-14-21(25-17-20)23-18-26-24(29-23)22(27)12-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-11,13-18H,2-3,5,8-9,12H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse heart membrane TGH preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence sc...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair
Carboxylesterase 1D (Mus musculus)	BDBM50448894 (CHEMBL3125313) Show SMILES CCOS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 |w:6.5| Show InChI InChI=1S/C25H28N2O5S/c1-2-31-33(29,30)17-16-21-14-15-22(26-18-21)24-19-27-25(32-24)23(28)13-9-4-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,14-19H,2-4,6,9-10,13H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse heart membrane TGH preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence sc...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
					More data for this Ligand-Target Pair