Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'darvesh' 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
Cholinesterase (Homo sapiens (Human))	BDBM50219206 (Anthracen-9-yl (10H-phenothiazine-10yl) methanone,...) Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE activity				Bioorg Med Chem 15: 6367-78 (2007) Article DOI: 10.1016/j.bmc.2007.06.060 BindingDB Entry DOI: 10.7270/Q2NC60XP
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198889 (CHEMBL3979616) Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C/c1ccccc1O Show InChI InChI=1S/C15H10O4/c16-10-5-6-11-13(8-10)19-14(15(11)18)7-9-3-1-2-4-12(9)17/h1-8,16-17H/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50308418 (CHEMBL605824 | N-[2-(N',N'-diisopropylamin...) Show SMILES CC(C)N(CCNC(=O)N1c2ccccc2Sc2ccccc12)C(C)C Show InChI InChI=1S/C21H27N3OS/c1-15(2)23(16(3)4)14-13-22-21(25)24-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)24/h5-12,15-16H,13-14H2,1-4H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2232-44 (2010) Article DOI: 10.1016/j.bmc.2010.01.066 BindingDB Entry DOI: 10.7270/Q21C1X08
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50219206 (Anthracen-9-yl (10H-phenothiazine-10yl) methanone,...) Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University					Assay Description Inhibition constant using AChE or BuChE.				Biochemistry 51: 7046-53 (2012) Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50308420 (CHEMBL589563 | N-[2-(Piperidinyl)ethyl]-10H-phenot...) Show SMILES O=C(NCCN1CCCCC1)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C20H23N3OS/c24-20(21-12-15-22-13-6-1-7-14-22)23-16-8-2-4-10-18(16)25-19-11-5-3-9-17(19)23/h2-5,8-11H,1,6-7,12-15H2,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2232-44 (2010) Article DOI: 10.1016/j.bmc.2010.01.066 BindingDB Entry DOI: 10.7270/Q21C1X08
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50308418 (CHEMBL605824 | N-[2-(N',N'-diisopropylamin...) Show SMILES CC(C)N(CCNC(=O)N1c2ccccc2Sc2ccccc12)C(C)C Show InChI InChI=1S/C21H27N3OS/c1-15(2)23(16(3)4)14-13-22-21(25)24-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)24/h5-12,15-16H,13-14H2,1-4H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University					Assay Description Inhibition constant using AChE or BuChE.				Biochemistry 51: 7046-53 (2012) Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198891 (CHEMBL3893332) Show SMILES COc1cc(\C=C2\SC(=S)NC2=O)ccc1OCc1ccc(C)cc1 Show InChI InChI=1S/C19H17NO3S2/c1-12-3-5-13(6-4-12)11-23-15-8-7-14(9-16(15)22-2)10-17-18(21)20-19(24)25-17/h3-10H,11H2,1-2H3,(H,20,21,24)/b17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50219208 (2-(naphthalen-2-yl)-1-(10H-phenothiazin-10-yl)etha...) Show SMILES O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C24H17NOS/c26-24(16-17-13-14-18-7-1-2-8-19(18)15-17)25-20-9-3-5-11-22(20)27-23-12-6-4-10-21(23)25/h1-15H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE activity				Bioorg Med Chem 15: 6367-78 (2007) Article DOI: 10.1016/j.bmc.2007.06.060 BindingDB Entry DOI: 10.7270/Q2NC60XP
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198898 (CHEMBL3970270) Show SMILES CCc1ccc(OCCCOc2ccc(\C=C3\SC(=O)NC3=O)cc2)cc1 Show InChI InChI=1S/C21H21NO4S/c1-2-15-4-8-17(9-5-15)25-12-3-13-26-18-10-6-16(7-11-18)14-19-20(23)22-21(24)27-19/h4-11,14H,2-3,12-13H2,1H3,(H,22,23,24)/b19-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50292603 (2-(pyrrolidin-1-yl)ethyl 10H-phenothiazine-10-carb...) Show SMILES O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C19H20N2O2S/c22-19(23-14-13-20-11-5-6-12-20)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21/h1-4,7-10H,5-6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor (unknown origin) by PDSP assay				Bioorg Med Chem Lett 23: 3822-5 (2013) Article DOI: 10.1016/j.bmcl.2013.04.082 BindingDB Entry DOI: 10.7270/Q2H133DC
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50202146 (5-(4-(benzyloxy)-3-methoxybenzylidene)-2-thioxothi...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1OCc1ccccc1 |w:5.4,c:9| Show InChI InChI=1S/C18H15NO3S2/c1-21-15-9-13(10-16-17(20)19-18(23)24-16)7-8-14(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198768 (CHEMBL3890124) Show SMILES Clc1ccccc1OCCOc1ccc(\C=C2\SC(=O)NC2=O)cc1 Show InChI InChI=1S/C18H14ClNO4S/c19-14-3-1-2-4-15(14)24-10-9-23-13-7-5-12(6-8-13)11-16-17(21)20-18(22)25-16/h1-8,11H,9-10H2,(H,20,21,22)/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50292622 (CHEMBL451838 | naphthalen-1-yl 10H-phenothiazine-1...) Show SMILES O=C(Oc1cccc2ccccc12)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C23H15NO2S/c25-23(26-20-13-7-9-16-8-1-2-10-17(16)20)24-18-11-3-5-14-21(18)27-22-15-6-4-12-19(22)24/h1-15H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human serum BchE by Ellman's assay				J Med Chem 51: 4200-12 (2008) Article DOI: 10.1021/jm8002075 BindingDB Entry DOI: 10.7270/Q24J0DXF
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198881 (CHEMBL496587) Show SMILES Brc1cccc(\C=C2/SC(=O)NC2=O)c1 Show InChI InChI=1S/C10H6BrNO2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198771 (CHEMBL3948168) Show SMILES CN(C)c1ccc(\C=C2\Oc3cc(O)ccc3C2=O)cc1 Show InChI InChI=1S/C17H15NO3/c1-18(2)12-5-3-11(4-6-12)9-16-17(20)14-8-7-13(19)10-15(14)21-16/h3-10,19H,1-2H3/b16-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198894 (CHEMBL3959175) Show SMILES Fc1ccc(COc2ccc(\C=C3\SC(=S)NC3=O)cc2Cl)cc1 Show InChI InChI=1S/C17H11ClFNO2S2/c18-13-7-11(8-15-16(21)20-17(23)24-15)3-6-14(13)22-9-10-1-4-12(19)5-2-10/h1-8H,9H2,(H,20,21,23)/b15-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50431295 (CHEMBL2348829) Show SMILES SC1=NC(=O)C(S1)=Cc1cccc(Br)c1 |w:7.8,t:1| Show InChI InChI=1S/C10H6BrNOS2/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198764 (CHEMBL3909388) Show SMILES CN(C)c1ccc(\C=C2\Oc3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)11-16-17(19)14-5-3-4-6-15(14)20-16/h3-11H,1-2H3/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198895 (CHEMBL3924991) Show SMILES Clc1ccccc1OCCCOc1ccc(\C=C2\SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H16ClNO4S/c20-15-4-1-2-5-16(15)25-11-3-10-24-14-8-6-13(7-9-14)12-17-18(22)21-19(23)26-17/h1-2,4-9,12H,3,10-11H2,(H,21,22,23)/b17-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50340098 (5-(4-hydroxy-3-methoxybenzylidene)-2-thioxothiazol...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1O |w:5.4,c:9| Show InChI InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198773 (CHEMBL2218926) Show SMILES [#6]C([#6])([#6])c1cc(\[#6]=[#6](\C#N)C#N)cc(Br)c1-[#8] Show InChI InChI=1S/C14H13BrN2O/c1-14(2,3)11-5-9(4-10(7-16)8-17)6-12(15)13(11)18/h4-6,18H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM4324 (2-[(4-hydroxyphenyl)methylidene]propanedinitrile |...) Show SMILES [#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1 Show InChI InChI=1S/C10H6N2O/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-5,13H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198763 (CHEMBL2018126) Show SMILES Oc1ccc(\C=C2/SC(=S)NC2=O)cc1Br Show InChI InChI=1S/C10H6BrNO2S2/c11-6-3-5(1-2-7(6)13)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50219224 (CHEMBL240899 | naphthalen-1-yl(10H-phenothiazin-10...) Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1cccc2ccccc12 Show InChI InChI=1S/C23H15NOS/c25-23(18-11-7-9-16-8-1-2-10-17(16)18)24-19-12-3-5-14-21(19)26-22-15-6-4-13-20(22)24/h1-15H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE activity				Bioorg Med Chem 15: 6367-78 (2007) Article DOI: 10.1016/j.bmc.2007.06.060 BindingDB Entry DOI: 10.7270/Q2NC60XP
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50219226 (2-(naphthalen-1-yl)-1-(10H-phenothiazin-10-yl)etha...) Show SMILES O=C(Cc1cccc2ccccc12)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C24H17NOS/c26-24(16-18-10-7-9-17-8-1-2-11-19(17)18)25-20-12-3-5-14-22(20)27-23-15-6-4-13-21(23)25/h1-15H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE activity				Bioorg Med Chem 15: 6367-78 (2007) Article DOI: 10.1016/j.bmc.2007.06.060 BindingDB Entry DOI: 10.7270/Q2NC60XP
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50140172 (CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...) Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50292623 (2-tert-butylphenyl 10H-phenothiazine-10-carboxylat...) Show SMILES CC(C)(C)c1ccccc1OC(=O)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C23H21NO2S/c1-23(2,3)16-10-4-7-13-19(16)26-22(25)24-17-11-5-8-14-20(17)27-21-15-9-6-12-18(21)24/h4-15H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human serum BchE by Ellman's assay				J Med Chem 51: 4200-12 (2008) Article DOI: 10.1021/jm8002075 BindingDB Entry DOI: 10.7270/Q24J0DXF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50292621 (CHEMBL518302 | naphthalen-2-yl 10H-phenothiazine-1...) Show SMILES O=C(Oc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C23H15NO2S/c25-23(26-18-14-13-16-7-1-2-8-17(16)15-18)24-19-9-3-5-11-21(19)27-22-12-6-4-10-20(22)24/h1-15H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human serum BchE by Ellman's assay				J Med Chem 51: 4200-12 (2008) Article DOI: 10.1021/jm8002075 BindingDB Entry DOI: 10.7270/Q24J0DXF
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198899 (CHEMBL3956710) Show SMILES Clc1cc(Br)c(\C=C2/SC(=S)NC2=O)cc1Br Show InChI InChI=1S/C10H4Br2ClNOS2/c11-5-3-7(13)6(12)1-4(5)2-8-9(15)14-10(16)17-8/h1-3H,(H,14,15,16)/b8-2-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50241153 ((Z)-5-(4'-Bromobenzylidene)-2-thioxothiazolidin-4-...) Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(Br)cc1 |w:7.8,t:1| Show InChI InChI=1S/C10H6BrNOS2/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198880 (CHEMBL3976274) Show SMILES O=C1NC(=O)\C(S1)=C\c1cccc2nccnc12 Show InChI InChI=1S/C12H7N3O2S/c16-11-9(18-12(17)15-11)6-7-2-1-3-8-10(7)14-5-4-13-8/h1-6H,(H,15,16,17)/b9-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198888 (CHEMBL3967845) Show SMILES Oc1c(Br)cc(\C=C2/SC(=O)NC2=O)cc1Br Show InChI InChI=1S/C10H5Br2NO3S/c11-5-1-4(2-6(12)8(5)14)3-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)/b7-3-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198766 (CHEMBL3982310) Show SMILES COc1cccc2CC(Oc12)C(=O)C1=C(O)C(=O)N(C1c1ccco1)c1nc(C)c(C)s1 |c:15| Show InChI InChI=1S/C23H20N2O6S/c1-11-12(2)32-23(24-11)25-18(14-8-5-9-30-14)17(20(27)22(25)28)19(26)16-10-13-6-4-7-15(29-3)21(13)31-16/h4-9,16,18,27H,10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198765 (CHEMBL3891346) Show SMILES FC(F)(F)c1cccc(\C=C2/SC(=S)NC2=O)c1 Show InChI InChI=1S/C11H6F3NOS2/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198770 (CHEBI:84040 | CHEMBL1208633) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(OS(O)(=O)=O)c2)cc1 Show InChI InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198769 (CHEBI:72761 | TRYPROSTATIN A) Show SMILES [H][C@@]12CCCN1C(=O)[C@]([H])(Cc1c(CC=C(C)C)[nH]c3cc(OC)ccc13)NC2=O |wD:1.0,8.9,(16.69,-7.4,;16.7,-5.85,;18.16,-6.34,;19.08,-5.1,;18.17,-3.84,;16.7,-4.31,;15.38,-3.54,;15.38,-1.99,;14.05,-4.31,;14.03,-2.77,;12.72,-3.54,;11.38,-4.31,;11.37,-5.85,;12.68,-6.58,;11.91,-7.91,;12.65,-9.26,;14.2,-9.27,;11.88,-10.57,;10.04,-6.62,;8.7,-5.84,;7.37,-6.62,;6.05,-5.85,;4.71,-6.62,;3.37,-5.85,;6.05,-4.31,;7.37,-3.53,;8.7,-4.31,;14.03,-5.85,;15.45,-6.76,;15.48,-8.3,)| Show InChI InChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198775 (CHEMBL3945250) Show SMILES C1C(NC2CCNCC2)C1c1ccccc1 Show InChI InChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50308409 (CHEMBL592673 | N-(Naphthalen-1-ylmethyl)-1'H-pheno...) Show SMILES O=C(NCc1cccc2ccccc12)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C24H18N2OS/c27-24(25-16-18-10-7-9-17-8-1-2-11-19(17)18)26-20-12-3-5-14-22(20)28-23-15-6-4-13-21(23)26/h1-15H,16H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2232-44 (2010) Article DOI: 10.1016/j.bmc.2010.01.066 BindingDB Entry DOI: 10.7270/Q21C1X08
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198774 (CHEMBL3927255) Show SMILES Oc1ccc(\C=C2/SC(=O)NC2=O)cc1Br Show InChI InChI=1S/C10H6BrNO3S/c11-6-3-5(1-2-7(6)13)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50308413 (CHEMBL588172 | N,N-Diisopropyl-1'H-phenothiazine-1...) Show SMILES CC(C)N(C(C)C)C(=O)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C19H22N2OS/c1-13(2)20(14(3)4)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-14H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2232-44 (2010) Article DOI: 10.1016/j.bmc.2010.01.066 BindingDB Entry DOI: 10.7270/Q21C1X08
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50308408 (CHEMBL602314 | N-(2-Phenylethyl)-1'H-phenothiazine...) Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C21H18N2OS/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2232-44 (2010) Article DOI: 10.1016/j.bmc.2010.01.066 BindingDB Entry DOI: 10.7270/Q21C1X08
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198882 (CHEMBL3930279) Show SMILES COc1cc(\C=C2/SC(=S)NC2=O)cc(OC)c1O Show InChI InChI=1S/C12H11NO4S2/c1-16-7-3-6(4-8(17-2)10(7)14)5-9-11(15)13-12(18)19-9/h3-5,14H,1-2H3,(H,13,15,18)/b9-5-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50308419 (CHEMBL589536 | N-[2-(Pyrrolidinyl)ethyl]-10H-pheno...) Show SMILES O=C(NCCN1CCCC1)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C19H21N3OS/c23-19(20-11-14-21-12-5-6-13-21)22-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)22/h1-4,7-10H,5-6,11-14H2,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2232-44 (2010) Article DOI: 10.1016/j.bmc.2010.01.066 BindingDB Entry DOI: 10.7270/Q21C1X08
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50181712 ((Z)-5-(4'-Chlorobenzylidene)-3-methyl-2-thioxothia...) Show SMILES CN1C(=S)S\C(=C/c2ccc(Cl)cc2)C1=O Show InChI InChI=1S/C11H8ClNOS2/c1-13-10(14)9(16-11(13)15)6-7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50219218 (1,2-di(10H-phenothiazin-10-yl)ethane-1,2-dione | C...) Show SMILES O=C(N1c2ccccc2Sc2ccccc12)C(=O)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C26H16N2O2S2/c29-25(27-17-9-1-5-13-21(17)31-22-14-6-2-10-18(22)27)26(30)28-19-11-3-7-15-23(19)32-24-16-8-4-12-20(24)28/h1-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE activity				Bioorg Med Chem 15: 6367-78 (2007) Article DOI: 10.1016/j.bmc.2007.06.060 BindingDB Entry DOI: 10.7270/Q2NC60XP
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50219223 (1-(10H-phenothiazin-10-yl)-4-phenylbutan-1-one | C...) Show SMILES O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C22H19NOS/c24-22(16-8-11-17-9-2-1-3-10-17)23-18-12-4-6-14-20(18)25-21-15-7-5-13-19(21)23/h1-7,9-10,12-15H,8,11,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE activity				Bioorg Med Chem 15: 6367-78 (2007) Article DOI: 10.1016/j.bmc.2007.06.060 BindingDB Entry DOI: 10.7270/Q2NC60XP
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50352037 (CHEMBL1823804) Show SMILES Oc1[nH]c(=O)sc1Cc1ccc2OC(F)(F)Oc2c1 Show InChI InChI=1S/C11H7F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-3,15H,4H2,(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50308424 (CHEMBL589805 | N-(3-(Methyl(phenyl)amino)propyl)-1...) Show SMILES CN(CCCNC(=O)N1c2ccccc2Sc2ccccc12)c1ccccc1 Show InChI InChI=1S/C23H23N3OS/c1-25(18-10-3-2-4-11-18)17-9-16-24-23(27)26-19-12-5-7-14-21(19)28-22-15-8-6-13-20(22)26/h2-8,10-15H,9,16-17H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2232-44 (2010) Article DOI: 10.1016/j.bmc.2010.01.066 BindingDB Entry DOI: 10.7270/Q21C1X08
					More data for this Ligand-Target Pair

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