Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50002292   

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
Cholinesterase (Equus caballus (Horse))	BDBM50456701 (CHEMBL4218651) Show SMILES Clc1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1 Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456715 (CHEMBL4213577) Show SMILES [#6](-[#6]-[#6]-[#6][Se;v2][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C38H50N4Se2/c1(13-25-39-37-29-17-5-9-21-33(29)41-34-22-10-6-18-30(34)37)3-15-27-43-44-28-16-4-2-14-26-40-38-31-19-7-11-23-35(31)42-36-24-12-8-20-32(36)38/h5,7,9,11,17,19,21,23H,1-4,6,8,10,12-16,18,20,22,24-28H2,(H,39,41)(H,40,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456702 (CHEMBL4213042) Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C36H46N4Se/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456711 (CHEMBL4208641) Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCSSCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C36H46N4S2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456712 (CHEMBL4204015) Show SMILES N#C[Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C26H37N3Se/c27-21-30-20-14-8-6-4-2-1-3-5-7-13-19-28-26-22-15-9-11-17-24(22)29-25-18-12-10-16-23(25)26/h9,11,15,17H,1-8,10,12-14,16,18-20H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456714 (CHEMBL4217969) Show SMILES C(CCCSSCCCCCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C38H50N4S2/c1(13-25-39-37-29-17-5-9-21-33(29)41-34-22-10-6-18-30(34)37)3-15-27-43-44-28-16-4-2-14-26-40-38-31-19-7-11-23-35(31)42-36-24-12-8-20-32(36)38/h5,7,9,11,17,19,21,23H,1-4,6,8,10,12-16,18,20,22,24-28H2,(H,39,41)(H,40,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	243	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456703 (CHEMBL4209181) Show SMILES N#CSCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C20H25N3S/c21-15-24-14-8-2-1-7-13-22-20-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)20/h3,5,9,11H,1-2,4,6-8,10,12-14H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456713 (CHEMBL4214235) Show SMILES N#C[Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C20H25N3Se/c21-15-24-14-8-2-1-7-13-22-20-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)20/h3,5,9,11H,1-2,4,6-8,10,12-14H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	336	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456708 (CHEMBL4204315) Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C36H46N4Se2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456705 (CHEMBL4209832) Show SMILES O=[#6](-[#6][Se;v2]c1ccccc1)-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C21H20N2OSe/c24-20(14-25-15-8-2-1-3-9-15)23-21-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)21/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	518	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair