Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'bharkavi' and Initial = 'c'   

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 (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242974 (CHEMBL4072825) Show SMILES COc1ccc(cc1)N1C(=O)C2CN(C)C3(C2C1=O)C(=O)c1ccccc1C3=O Show InChI InChI=1S/C22H18N2O5/c1-23-11-16-17(22(23)18(25)14-5-3-4-6-15(14)19(22)26)21(28)24(20(16)27)12-7-9-13(29-2)10-8-12/h3-10,16-17H,11H2,1-2H3	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	780	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558500 (CHEMBL4752440) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1ccc(OC)cc1 |r| Show InChI	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558514 (CHEMBL4747183) Show SMILES COc1ccc(cc1)[C@@H]1CN(C)C2(C(=O)c3ccccc3C2=O)[C@]11CSc2ccccc2C1=O |r| Show InChI	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	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242995 (CHEMBL4088091) Show SMILES CN1CC2C(C(=O)N(C)C2=O)C11C(=O)c2ccccc2C1=O Show InChI InChI=1S/C16H14N2O4/c1-17-7-10-11(15(22)18(2)14(10)21)16(17)12(19)8-5-3-4-6-9(8)13(16)20/h3-6,10-11H,7H2,1-2H3	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558508 (CHEMBL4794820) Show SMILES CN1C[C@@H](c2cccc3ccccc23)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242971 (CHEMBL4089033) Show SMILES CN1CC2C(C(=O)N(C3CCCCC3)C2=O)C11C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H22N2O4/c1-22-11-15-16(20(27)23(19(15)26)12-7-3-2-4-8-12)21(22)17(24)13-9-5-6-10-14(13)18(21)25/h5-6,9-10,12,15-16H,2-4,7-8,11H2,1H3	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	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558516 (CHEMBL4797045) Show SMILES CN1C[C@@H](c2ccc(C)cc2)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242973 (CHEMBL4104459) Show SMILES CN1CC2C(C(=O)N(C2=O)c2ccc(cc2)[N+]([O-])=O)C11C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H15N3O6/c1-22-10-15-16(21(22)17(25)13-4-2-3-5-14(13)18(21)26)20(28)23(19(15)27)11-6-8-12(9-7-11)24(29)30/h2-9,15-16H,10H2,1H3	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	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558502 (CHEMBL4760400) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1ccc(C)cc1 |r| Show InChI	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	7.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242979 (CHEMBL4090159) Show SMILES CN1CC2C(C(=O)N(C2=O)c2ccc(C)cc2)C11C(=O)c2ccccc2C1=O Show InChI InChI=1S/C22H18N2O4/c1-12-7-9-13(10-8-12)24-20(27)16-11-23(2)22(17(16)21(24)28)18(25)14-5-3-4-6-15(14)19(22)26/h3-10,16-17H,11H2,1-2H3	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	7.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558511 (CHEMBL4754607) Show SMILES CN1C[C@@H](c2ccccc2Cl)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242992 (CHEMBL4066805) Show SMILES COc1ccccc1N1C(=O)C2CN(C)C3(C2C1=O)C(=O)c1ccccc1C3=O Show InChI InChI=1S/C22H18N2O5/c1-23-11-14-17(22(23)18(25)12-7-3-4-8-13(12)19(22)26)21(28)24(20(14)27)15-9-5-6-10-16(15)29-2/h3-10,14,17H,11H2,1-2H3	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	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558517 (CHEMBL4800067) Show SMILES CN1C[C@@H](c2ccccc2)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558499 (CHEMBL4761620) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1cccc(F)c1 |r| Show InChI	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	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242993 (CHEMBL4093532) Show SMILES CC(C)c1ccc(cc1)N1C(=O)C2CN(C)C3(C2C1=O)C(=O)c1ccccc1C3=O Show InChI InChI=1S/C24H22N2O4/c1-13(2)14-8-10-15(11-9-14)26-22(29)18-12-25(3)24(19(18)23(26)30)20(27)16-6-4-5-7-17(16)21(24)28/h4-11,13,18-19H,12H2,1-3H3	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	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558503 (CHEMBL4754171) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1ccccc1 |r| Show InChI	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	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558495 (CHEMBL4757955) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1cccc2ccccc12 |r| Show InChI	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	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558494 (CHEMBL4789991) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1cccs1 |r| Show InChI	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	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558496 (CHEMBL4797884) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1ccc(Cl)cc1Cl |r| Show InChI	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	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558515 (CHEMBL4791084) Show SMILES CC(C)c1ccc(cc1)[C@@H]1CN(C)C2(C(=O)c3ccccc3C2=O)[C@]11CSc2ccccc2C1=O |r| Show InChI	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	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558512 (CHEMBL4739877) Show SMILES CN1C[C@@H](c2cccc(Br)c2)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558506 (CHEMBL4788300) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1ccc(F)cc1 |r| Show InChI	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	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558507 (CHEMBL4763528) Show SMILES CN1C[C@@H](c2cccs2)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558505 (CHEMBL4743869) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1ccc(Cl)cc1 |r| Show InChI	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	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558519 (CHEMBL4744408) Show SMILES CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	2.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558520 (CHEMBL4791351) Show SMILES CN1C[C@@H](c2ccc(F)cc2)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558509 (CHEMBL4780172) Show SMILES CN1C[C@@H](c2ccc(Cl)cc2Cl)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558513 (CHEMBL4799570) Show SMILES CN1C[C@@H](c2cccc(F)c2)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558510 (CHEMBL4755928) Show SMILES CN1C[C@@H](c2ccccc2Br)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242981 (CHEMBL4098808) Show SMILES CN1CC2C(C(=O)N(C2=O)c2ccc(Cl)cc2)C11C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H15ClN2O4/c1-23-10-15-16(20(28)24(19(15)27)12-8-6-11(22)7-9-12)21(23)17(25)13-4-2-3-5-14(13)18(21)26/h2-9,15-16H,10H2,1H3	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	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558501 (CHEMBL4756742) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1ccc(cc1)C(C)C |r| Show InChI	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	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558518 (CHEMBL4740786) Show SMILES CN1C[C@@H](c2ccc(Br)cc2)[C@@]2(CSc3ccccc3C2=O)C11C(=O)c2ccccc2C1=O |r| Show InChI	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	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558497 (CHEMBL4748587) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1ccccc1Cl |r| Show InChI	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	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558504 (CHEMBL4762214) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1ccc(Br)cc1 |r| Show InChI	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	3.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50558498 (CHEMBL4797575) Show SMILES [H][C@]12CSCN1C1(C(=O)c3ccccc3C1=O)[C@]1(CSc3ccccc3C1=O)[C@@H]2c1cccc(Br)c1 |r| Show InChI	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	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition...				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.044 BindingDB Entry DOI: 10.7270/Q2571GQ5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242969 (CHEMBL4060832) Show SMILES CN1CC2C(C(=O)N(Cc3ccccc3)C2=O)C11C(=O)c2ccccc2C1=O Show InChI InChI=1S/C22H18N2O4/c1-23-12-16-17(21(28)24(20(16)27)11-13-7-3-2-4-8-13)22(23)18(25)14-9-5-6-10-15(14)19(22)26/h2-10,16-17H,11-12H2,1H3	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	4.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242975 (CHEMBL4069096) Show SMILES CCc1ccc(cc1)N1C(=O)C2CN(C)C3(C2C1=O)C(=O)c1ccccc1C3=O Show InChI InChI=1S/C23H20N2O4/c1-3-13-8-10-14(11-9-13)25-21(28)17-12-24(2)23(18(17)22(25)29)19(26)15-6-4-5-7-16(15)20(23)27/h4-11,17-18H,3,12H2,1-2H3	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	4.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242982 (CHEMBL4071803) Show SMILES CN1CC2C(C(=O)N(C2=O)c2ccc(F)cc2)C11C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H15FN2O4/c1-23-10-15-16(20(28)24(19(15)27)12-8-6-11(22)7-9-12)21(23)17(25)13-4-2-3-5-14(13)18(21)26/h2-9,15-16H,10H2,1H3	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	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242980 (CHEMBL4079853) Show SMILES CN1CC2C(C(=O)N(C2=O)c2ccccc2)C11C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H16N2O4/c1-22-11-15-16(20(27)23(19(15)26)12-7-3-2-4-8-12)21(22)17(24)13-9-5-6-10-14(13)18(21)25/h2-10,15-16H,11H2,1H3	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	6.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242994 (CHEMBL4097877) Show SMILES CN1CC2C(C(=O)N(C2=O)c2ccc(Br)cc2)C11C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H15BrN2O4/c1-23-10-15-16(20(28)24(19(15)27)12-8-6-11(22)7-9-12)21(23)17(25)13-4-2-3-5-14(13)18(21)26/h2-9,15-16H,10H2,1H3	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	7.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242972 (CHEMBL4080216) Show SMILES CN1CC2C(C(=O)N(C2=O)c2cccc(F)c2)C11C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H15FN2O4/c1-23-10-15-16(20(28)24(19(15)27)12-6-4-5-11(22)9-12)21(23)17(25)13-7-2-3-8-14(13)18(21)26/h2-9,15-16H,10H2,1H3	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	8.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
					More data for this Ligand-Target Pair