Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'zeller' and Initial = 'm'   

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
Cocaine esterase (Homo sapiens (Human))	BDBM22722 (1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...) Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	14.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171925 (1,2-Bis-(4-bromo-thiophen-2-yl)-ethane-1,2-dione |...) Show SMILES Brc1csc(c1)C(=O)C(=O)c1cc(Br)cs1 Show InChI InChI=1S/C10H4Br2O2S2/c11-5-1-7(15-3-5)9(13)10(14)8-2-6(12)4-16-8/h1-4H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171925 (1,2-Bis-(4-bromo-thiophen-2-yl)-ethane-1,2-dione |...) Show SMILES Brc1csc(c1)C(=O)C(=O)c1cc(Br)cs1 Show InChI InChI=1S/C10H4Br2O2S2/c11-5-1-7(15-3-5)9(13)10(14)8-2-6(12)4-16-8/h1-4H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM22722 (1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...) Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	45.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM22722 (1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...) Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	45.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50171924 (1,2-Di-naphthalen-2-yl-ethane-1,2-dione | 1,2-di(n...) Show SMILES O=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171926 (1,2-Di-pyridin-2-yl-ethane-1,2-dione | 1,2-di(pyri...) Show SMILES O=C(C(=O)c1ccccn1)c1ccccn1 Show InChI InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171926 (1,2-Di-pyridin-2-yl-ethane-1,2-dione | 1,2-di(pyri...) Show SMILES O=C(C(=O)c1ccccn1)c1ccccn1 Show InChI InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50171926 (1,2-Di-pyridin-2-yl-ethane-1,2-dione | 1,2-di(pyri...) Show SMILES O=C(C(=O)c1ccccn1)c1ccccn1 Show InChI InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171928 (1,2-Bis-(5-bromo-thiophen-2-yl)-ethane-1,2-dione |...) Show SMILES Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1 Show InChI InChI=1S/C10H4Br2O2S2/c11-7-3-1-5(15-7)9(13)10(14)6-2-4-8(12)16-6/h1-4H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171928 (1,2-Bis-(5-bromo-thiophen-2-yl)-ethane-1,2-dione |...) Show SMILES Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1 Show InChI InChI=1S/C10H4Br2O2S2/c11-7-3-1-5(15-7)9(13)10(14)6-2-4-8(12)16-6/h1-4H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171922 (1,2-Di-thiophen-2-yl-ethane-1,2-dione | 1,2-di(thi...) Show SMILES O=C(C(=O)c1cccs1)c1cccs1 Show InChI InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	212	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171922 (1,2-Di-thiophen-2-yl-ethane-1,2-dione | 1,2-di(thi...) Show SMILES O=C(C(=O)c1cccs1)c1cccs1 Show InChI InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	212	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50171928 (1,2-Bis-(5-bromo-thiophen-2-yl)-ethane-1,2-dione |...) Show SMILES Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1 Show InChI InChI=1S/C10H4Br2O2S2/c11-7-3-1-5(15-7)9(13)10(14)6-2-4-8(12)16-6/h1-4H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171924 (1,2-Di-naphthalen-2-yl-ethane-1,2-dione | 1,2-di(n...) Show SMILES O=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171921 (1,2-Di-thiophen-3-yl-ethane-1,2-dione | 1,2-di(thi...) Show SMILES O=C(C(=O)c1ccsc1)c1ccsc1 Show InChI InChI=1S/C10H6O2S2/c11-9(7-1-3-13-5-7)10(12)8-2-4-14-6-8/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171921 (1,2-Di-thiophen-3-yl-ethane-1,2-dione | 1,2-di(thi...) Show SMILES O=C(C(=O)c1ccsc1)c1ccsc1 Show InChI InChI=1S/C10H6O2S2/c11-9(7-1-3-13-5-7)10(12)8-2-4-14-6-8/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50171925 (1,2-Bis-(4-bromo-thiophen-2-yl)-ethane-1,2-dione |...) Show SMILES Brc1csc(c1)C(=O)C(=O)c1cc(Br)cs1 Show InChI InChI=1S/C10H4Br2O2S2/c11-5-1-7(15-3-5)9(13)10(14)8-2-6(12)4-16-8/h1-4H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	573	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50171922 (1,2-Di-thiophen-2-yl-ethane-1,2-dione | 1,2-di(thi...) Show SMILES O=C(C(=O)c1cccs1)c1cccs1 Show InChI InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171927 (1,2-Di-furan-2-yl-ethane-1,2-dione | 1,2-di(furan-...) Show SMILES O=C(C(=O)c1ccco1)c1ccco1 Show InChI InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171927 (1,2-Di-furan-2-yl-ethane-1,2-dione | 1,2-di(furan-...) Show SMILES O=C(C(=O)c1ccco1)c1ccco1 Show InChI InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171920 (2-Hydroxy-1,2-di-thiophen-2-yl-ethanone | CHEMBL19...) Show SMILES OC(C(=O)c1cccs1)c1cccs1 Show InChI InChI=1S/C10H8O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171920 (2-Hydroxy-1,2-di-thiophen-2-yl-ethanone | CHEMBL19...) Show SMILES OC(C(=O)c1cccs1)c1cccs1 Show InChI InChI=1S/C10H8O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM22728 (2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...) Show SMILES OC(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50171920 (2-Hydroxy-1,2-di-thiophen-2-yl-ethanone | CHEMBL19...) Show SMILES OC(C(=O)c1cccs1)c1cccs1 Show InChI InChI=1S/C10H8O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	5.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50171921 (1,2-Di-thiophen-3-yl-ethane-1,2-dione | 1,2-di(thi...) Show SMILES O=C(C(=O)c1ccsc1)c1ccsc1 Show InChI InChI=1S/C10H6O2S2/c11-9(7-1-3-13-5-7)10(12)8-2-4-14-6-8/h1-6H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM22728 (2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...) Show SMILES OC(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	7.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50171927 (1,2-Di-furan-2-yl-ethane-1,2-dione | 1,2-di(furan-...) Show SMILES O=C(C(=O)c1ccco1)c1ccco1 Show InChI InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50171923 (1,2-Di-furan-2-yl-2-hydroxy-ethanone | CHEMBL36489...) Show SMILES OC(C(=O)c1ccco1)c1ccco1 Show InChI InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50171922 (1,2-Di-thiophen-2-yl-ethane-1,2-dione | 1,2-di(thi...) Show SMILES O=C(C(=O)c1cccs1)c1cccs1 Show InChI InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50171928 (1,2-Bis-(5-bromo-thiophen-2-yl)-ethane-1,2-dione |...) Show SMILES Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1 Show InChI InChI=1S/C10H4Br2O2S2/c11-7-3-1-5(15-7)9(13)10(14)6-2-4-8(12)16-6/h1-4H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50171923 (1,2-Di-furan-2-yl-2-hydroxy-ethanone | CHEMBL36489...) Show SMILES OC(C(=O)c1ccco1)c1ccco1 Show InChI InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50171926 (1,2-Di-pyridin-2-yl-ethane-1,2-dione | 1,2-di(pyri...) Show SMILES O=C(C(=O)c1ccccn1)c1ccccn1 Show InChI InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50171920 (2-Hydroxy-1,2-di-thiophen-2-yl-ethanone | CHEMBL19...) Show SMILES OC(C(=O)c1cccs1)c1cccs1 Show InChI InChI=1S/C10H8O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50171925 (1,2-Bis-(4-bromo-thiophen-2-yl)-ethane-1,2-dione |...) Show SMILES Brc1csc(c1)C(=O)C(=O)c1cc(Br)cs1 Show InChI InChI=1S/C10H4Br2O2S2/c11-5-1-7(15-3-5)9(13)10(14)8-2-6(12)4-16-8/h1-4H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM22728 (2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...) Show SMILES OC(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM22722 (1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...) Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM22728 (2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...) Show SMILES OC(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM50171923 (1,2-Di-furan-2-yl-2-hydroxy-ethanone | CHEMBL36489...) Show SMILES OC(C(=O)c1ccco1)c1ccco1 Show InChI InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50171921 (1,2-Di-thiophen-3-yl-ethane-1,2-dione | 1,2-di(thi...) Show SMILES O=C(C(=O)c1ccsc1)c1ccsc1 Show InChI InChI=1S/C10H6O2S2/c11-9(7-1-3-13-5-7)10(12)8-2-4-14-6-8/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50171927 (1,2-Di-furan-2-yl-ethane-1,2-dione | 1,2-di(furan-...) Show SMILES O=C(C(=O)c1ccco1)c1ccco1 Show InChI InChI=1S/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50078348 (CHEMBL77689 | [(S)-1-[1-((S)-1,2-Dicarbamoyl-ethyl...) Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1)C(N)=O Show InChI InChI=1S/C28H37N6O10P/c29-19-6-4-5-18(13-19)16-43-27(39)33-22(14-17-7-9-20(10-8-17)44-45(40,41)42)25(37)34-28(11-2-1-3-12-28)26(38)32-21(24(31)36)15-23(30)35/h4-10,13,21-22H,1-3,11-12,14-16,29H2,(H2,30,35)(H2,31,36)(H,32,38)(H,33,39)(H,34,37)(H2,40,41,42)/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain				J Med Chem 42: 2358-63 (1999) Article DOI: 10.1021/jm991013u BindingDB Entry DOI: 10.7270/Q2S181PH
					More data for this Ligand-Target Pair				3D Structure (docked)
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50078347 (CHEMBL307890 | [(S)-1-[1-((1R,6S)-6-Carbamoyl-cycl...) Show SMILES NC(=O)[C@H]1CCC=C[C@H]1NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1 |c:6| Show InChI InChI=1S/C31H40N5O9P/c32-22-8-6-7-21(17-22)19-44-30(40)35-26(18-20-11-13-23(14-12-20)45-46(41,42)43)28(38)36-31(15-4-1-5-16-31)29(39)34-25-10-3-2-9-24(25)27(33)37/h3,6-8,10-14,17,24-26H,1-2,4-5,9,15-16,18-19,32H2,(H2,33,37)(H,34,39)(H,35,40)(H,36,38)(H2,41,42,43)/t24-,25+,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain				J Med Chem 42: 2358-63 (1999) Article DOI: 10.1021/jm991013u BindingDB Entry DOI: 10.7270/Q2S181PH
					More data for this Ligand-Target Pair				3D Structure (docked)
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50078346 (CHEMBL310056 | [(S)-1-[1-((1S,6R)-6-Carbamoyl-cycl...) Show SMILES NC(=O)[C@@H]1CCC=C[C@@H]1NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1cccc(N)c1 |c:6| Show InChI InChI=1S/C31H40N5O9P/c32-22-8-6-7-21(17-22)19-44-30(40)35-26(18-20-11-13-23(14-12-20)45-46(41,42)43)28(38)36-31(15-4-1-5-16-31)29(39)34-25-10-3-2-9-24(25)27(33)37/h3,6-8,10-14,17,24-26H,1-2,4-5,9,15-16,18-19,32H2,(H2,33,37)(H,34,39)(H,35,40)(H,36,38)(H2,41,42,43)/t24-,25+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain				J Med Chem 42: 2358-63 (1999) Article DOI: 10.1021/jm991013u BindingDB Entry DOI: 10.7270/Q2S181PH
					More data for this Ligand-Target Pair				3D Structure (docked)