Compile Data Set for Download or QSAR

Found 306 hits with Last Name = 'zhong' and Initial = 's'   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50365773 (CHEMBL1956552) Show SMILES CCN(CC)CCCNc1ccc2C(=O)c3cccc4ccnc(-c2c1)c34 Show InChI InChI=1S/C23H25N3O/c1-3-26(4-2)14-6-12-24-17-9-10-18-20(15-17)22-21-16(11-13-25-22)7-5-8-19(21)23(18)27/h5,7-11,13,15,24H,3-4,6,12,14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry& Chemical Engineering of Guangxi Normal University Curated by ChEMBL					Assay Description Non-competitive inhibition of Electrophorus electricus AChE assessed as hydrolysis of acetylthiocholineiodide after 15 mins incubation by spectrophot...				Bioorg Med Chem Lett 22: 2257-61 (2012) Article DOI: 10.1016/j.bmcl.2012.01.090 BindingDB Entry DOI: 10.7270/Q2HH6KJX
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM22826 (2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylic acid ...) Show SMILES OC(=O)c1cccc2C(=O)C(=O)Nc12 Show InChI InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 using nicked DNA substrate by kinetic assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1 Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1 Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	8.00E+3	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase (Bacillus anthracis)	BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1 Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9.00E+3	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase (Bacillus anthracis)	BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1 Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase (Bacillus anthracis)	BDBM50318653 (3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...) Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.80E+4	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM50318653 (3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...) Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM50318653 (3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...) Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.50E+4	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase (Bacillus anthracis)	BDBM50318653 (3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...) Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.				Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50353684 (CHEMBL1830627) Show SMILES O=C(CCNCCNc1c2CCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C34H31N5O2/c40-30(15-16-35-18-19-37-32-24-7-1-3-10-28(24)39-29-11-4-2-8-25(29)32)38-22-12-13-23-27(20-22)34(41)26-9-5-6-21-14-17-36-33(23)31(21)26/h1,3,5-7,9-10,12-14,17,20,35H,2,4,8,11,15-16,18-19H2,(H,37,39)(H,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573585 (CHEMBL4846412) Show SMILES COc1cc(ccc1CNC(CO)C(O)=O)-c1cccc(c1C)-c1cccc(c1C)-c1ccc(CNC(CO)C(O)=O)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573586 (CHEMBL4867169) Show SMILES COc1cc(ccc1CNC(O)CC(O)=O)-c1cccc(c1C)-c1cccc(c1C)-c1ccc(CNC(O)CC(O)=O)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573584 (CHEMBL4845782) Show SMILES COc1cc(ccc1CN1CC(C1)C(O)=O)-c1cccc(c1C)-c1cccc(c1C)-c1ccc(CN2CC(C2)C(O)=O)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573550 (CHEMBL4869046) Show SMILES Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1ccc2OCCOc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM120996 (US8716285, 53) Show SMILES ONC(=O)c1ccc2NCC(Cc2c1)Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C19H18N6O2/c26-18(25-27)12-3-4-16-14(8-12)9-15(11-22-16)23-19-21-7-5-17(24-19)13-2-1-6-20-10-13/h1-8,10,15,22,27H,9,11H2,(H,25,26)(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573570 (CHEMBL4862483) Show SMILES Cc1c(cccc1-c1ccc2OCCOc2c1)-c1ccc(CNCCO)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50078748 (CHEMBL3415629) Show SMILES C[C@@]1(CCN(C1=O)c1ccc(Cl)cc1)Nc1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C18H18ClN3O3/c1-18(20-14-6-2-12(3-7-14)16(23)21-25)10-11-22(17(18)24)15-8-4-13(19)5-9-15/h2-9,20,25H,10-11H2,1H3,(H,21,23)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50078747 (CHEMBL3415628) Show SMILES CC1(CCN(C1=O)c1ccc2ncccc2c1)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H20N4O3/c1-21(23-16-6-4-14(5-7-16)19(26)24-28)10-12-25(20(21)27)17-8-9-18-15(13-17)3-2-11-22-18/h2-9,11,13,23,28H,10,12H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573573 (CHEMBL4861661) Show SMILES OCCNCc1ccc(cc1)C(=O)N1CCc2c1cccc2-c1cccc2N(CCc12)C(=O)c1ccc(CNCCO)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573569 (CHEMBL4862708) Show SMILES Cc1c(cccc1-c1ccc(CNCCO)cn1)-c1ccc2OCCOc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry& Chemical Engineering of Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE after 15 mins incubation by spectrophotometry based Ellman's method				Bioorg Med Chem Lett 22: 2257-61 (2012) Article DOI: 10.1016/j.bmcl.2012.01.090 BindingDB Entry DOI: 10.7270/Q2HH6KJX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50078695 (CHEMBL3415627) Show SMILES CC1(CCN(C1=O)c1ccc(Cl)cc1)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H18ClN3O3/c1-18(20-14-6-2-12(3-7-14)16(23)21-25)10-11-22(17(18)24)15-8-4-13(19)5-9-15/h2-9,20,25H,10-11H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM50353680 (CHEMBL1830632) Show SMILES O=C(CCNCCCNc1c2CCCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C36H35N5O2/c42-32(40-24-14-15-25-29(22-24)36(43)28-11-6-8-23-16-21-39-35(25)33(23)28)17-20-37-18-7-19-38-34-26-9-2-1-3-12-30(26)41-31-13-5-4-10-27(31)34/h4-6,8,10-11,13-16,21-22,37H,1-3,7,9,12,17-20H2,(H,38,41)(H,40,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.1	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573579 (CHEMBL4856653) Show SMILES COc1cc(ccc1CNC1CCOCC1)-c1cccc(c1C)-c1cccc(c1C)-c1ccc(CNC2CCOCC2)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573580 (CHEMBL4866385) Show SMILES COc1cc(ccc1CNC1CCCC1O)-c1cccc(c1C)-c1cccc(c1C)-c1ccc(CNC2CCCC2O)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50353685 (CHEMBL1830626) Show SMILES O=C(CNCCNc1c2CCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C33H29N5O2/c39-29(19-34-16-17-36-31-23-7-1-3-10-27(23)38-28-11-4-2-8-24(28)31)37-21-12-13-22-26(18-21)33(40)25-9-5-6-20-14-15-35-32(22)30(20)25/h1,3,5-7,9-10,12-15,18,34H,2,4,8,11,16-17,19H2,(H,36,38)(H,37,39)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573574 (CHEMBL4858813) Show SMILES Cc1c(cccc1-c1cccc(c1C)-c1ccc(CNCCO)cc1)-c1ccc(CNCCO)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573576 (CHEMBL4857423) Show SMILES COc1cc(ccc1CNCCO)-c1cccc(c1C)-c1cccc(c1C)-c1ccc(CNCCO)cc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50573577 (CHEMBL4873371) Show SMILES COc1cc(ccc1CO)-c1cccc(c1C)-c1cccc(c1C)-c1ccc(CNC(CO)CO)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113637 BindingDB Entry DOI: 10.7270/Q2P55S90
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50353681 (CHEMBL1830631) Show SMILES O=C(CCNCCNc1c2CCCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C35H33N5O2/c41-31(39-23-13-14-24-28(21-23)35(42)27-10-6-7-22-15-18-37-34(24)32(22)27)16-17-36-19-20-38-33-25-8-2-1-3-11-29(25)40-30-12-5-4-9-26(30)33/h4-7,9-10,12-15,18,21,36H,1-3,8,11,16-17,19-20H2,(H,38,40)(H,39,41)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51.7	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50353683 (CHEMBL1830628) Show SMILES O=C(CCNCCCNc1c2CCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C35H33N5O2/c41-31(39-23-13-14-24-28(21-23)35(42)27-10-5-7-22-15-20-38-34(24)32(22)27)16-19-36-17-6-18-37-33-25-8-1-3-11-29(25)40-30-12-4-2-9-26(30)33/h1,3,5,7-8,10-11,13-15,20-21,36H,2,4,6,9,12,16-19H2,(H,37,40)(H,39,41)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57.1	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50353689 (CHEMBL1830630) Show SMILES O=C(CNCCNc1c2CCCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C34H31N5O2/c40-30(20-35-17-18-37-32-24-8-2-1-3-11-28(24)39-29-12-5-4-9-25(29)32)38-22-13-14-23-27(19-22)34(41)26-10-6-7-21-15-16-36-33(23)31(21)26/h4-7,9-10,12-16,19,35H,1-3,8,11,17-18,20H2,(H,37,39)(H,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50078687 (CHEMBL3415619) Show SMILES ONC(=O)c1ccc(NC2CCN(C2=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H15Cl2N3O3/c18-13-6-5-12(9-14(13)19)22-8-7-15(17(22)24)20-11-3-1-10(2-4-11)16(23)21-25/h1-6,9,15,20,25H,7-8H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50213931 (CHEMBL250854 | tylophorinidine) Show SMILES COc1ccc2c3[C@H](O)[C@@H]4CCCN4Cc3c3cc(OC)c(O)cc3c2c1 Show InChI InChI=1S/C22H23NO4/c1-26-12-5-6-13-14(8-12)15-9-19(24)20(27-2)10-16(15)17-11-23-7-3-4-18(23)22(25)21(13)17/h5-6,8-10,18,22,24-25H,3-4,7,11H2,1-2H3/t18-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of AP1-mediated gene transcription in HepG2 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 17: 4338-42 (2007) Article DOI: 10.1016/j.bmcl.2007.05.021 BindingDB Entry DOI: 10.7270/Q2HD7VBW
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50353681 (CHEMBL1830631) Show SMILES O=C(CCNCCNc1c2CCCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C35H33N5O2/c41-31(39-23-13-14-24-28(21-23)35(42)27-10-6-7-22-15-18-37-34(24)32(22)27)16-17-36-19-20-38-33-25-8-2-1-3-11-29(25)40-30-12-5-4-9-26(30)33/h4-7,9-10,12-15,18,21,36H,1-3,8,11,16-17,19-20H2,(H,38,40)(H,39,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50213932 (CHEMBL250474 | [(R)-(+)-deoxytylophorinidine) Show SMILES COc1ccc2c3C[C@H]4CCCN4Cc3c3cc(OC)c(O)cc3c2c1 Show InChI InChI=1S/C22H23NO3/c1-25-14-5-6-15-16-8-13-4-3-7-23(13)12-20(16)19-11-22(26-2)21(24)10-18(19)17(15)9-14/h5-6,9-11,13,24H,3-4,7-8,12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of AP1-mediated gene transcription in HepG2 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 17: 4338-42 (2007) Article DOI: 10.1016/j.bmcl.2007.05.021 BindingDB Entry DOI: 10.7270/Q2HD7VBW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50078747 (CHEMBL3415628) Show SMILES CC1(CCN(C1=O)c1ccc2ncccc2c1)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H20N4O3/c1-21(23-16-6-4-14(5-7-16)19(26)24-28)10-12-25(20(21)27)17-8-9-18-15(13-17)3-2-11-22-18/h2-9,11,13,23,28H,10,12H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50027662 (CHEMBL3338418) Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r| Show InChI InChI=1S/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50078680 (CHEMBL3415454) Show SMILES ONC(=O)c1ccc(NC2CCN(C2=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C17H16ClN3O3/c18-12-2-1-3-14(10-12)21-9-8-15(17(21)23)19-13-6-4-11(5-7-13)16(22)20-24/h1-7,10,15,19,24H,8-9H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50078690 (CHEMBL3415621) Show SMILES ONC(=O)c1ccc(NC2CCN(C2=O)c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C18H16N4O3/c19-11-12-1-7-15(8-2-12)22-10-9-16(18(22)24)20-14-5-3-13(4-6-14)17(23)21-25/h1-8,16,20,25H,9-10H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50353684 (CHEMBL1830627) Show SMILES O=C(CCNCCNc1c2CCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C34H31N5O2/c40-30(15-16-35-18-19-37-32-24-7-1-3-10-28(24)39-29-11-4-2-8-25(29)32)38-22-12-13-23-27(20-22)34(41)26-9-5-6-21-14-17-36-33(23)31(21)26/h1,3,5-7,9-10,12-14,17,20,35H,2,4,8,11,15-16,18-19H2,(H,37,39)(H,38,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50213934 (CHEMBL398325 | tylophorinine) Show SMILES COc1ccc2c3[C@@H](O)[C@@H]4CCCN4Cc3c3cc(OC)c(OC)cc3c2c1 Show InChI InChI=1S/C23H25NO4/c1-26-13-6-7-14-15(9-13)16-10-20(27-2)21(28-3)11-17(16)18-12-24-8-4-5-19(24)23(25)22(14)18/h6-7,9-11,19,23,25H,4-5,8,12H2,1-3H3/t19-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of AP1-mediated gene transcription in HepG2 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 17: 4338-42 (2007) Article DOI: 10.1016/j.bmcl.2007.05.021 BindingDB Entry DOI: 10.7270/Q2HD7VBW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50078682 (CHEMBL3415618) Show SMILES ONC(=O)c1ccc(NC2CCN(C2=O)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H16F3N3O3/c19-18(20,21)12-3-7-14(8-4-12)24-10-9-15(17(24)26)22-13-5-1-11(2-6-13)16(25)23-27/h1-8,15,22,27H,9-10H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50078757 (CHEMBL3415453) Show SMILES ONC(=O)c1ccc(NC2CCN(C2=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C17H16ClN3O3/c18-12-3-7-14(8-4-12)21-10-9-15(17(21)23)19-13-5-1-11(2-6-13)16(22)20-24/h1-8,15,19,24H,9-10H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50078689 (CHEMBL3415620) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCC(Nc2ccc(cc2)C(=O)NO)C1=O Show InChI InChI=1S/C18H19N3O5S/c1-27(25,26)15-8-6-14(7-9-15)21-11-10-16(18(21)23)19-13-4-2-12(3-5-13)17(22)20-24/h2-9,16,19,24H,10-11H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Roche Innovation Center Shanghai Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC as substrate				J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0
					More data for this Ligand-Target Pair

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