Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'soares' and Initial = 'l'   

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))	BDBM50587056 (CHEMBL5080685) Show SMILES COC(=O)c1c(CCCCCCCCNc2c3CCCCc3nc3ccccc23)cccc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0352	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50587059 (CHEMBL5092094) Show SMILES COC(=O)c1c(O)cccc1CCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.177	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50587057 (CHEMBL5078555) Show SMILES COC(=O)c1c(CCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cccc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.265	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587057 (CHEMBL5078555) Show SMILES COC(=O)c1c(CCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cccc1OC 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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587064 (CHEMBL5082773) Show SMILES COC(=O)c1c(O)cccc1CCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50587062 (CHEMBL5084379) Show SMILES COC(=O)c1c(CCCCCCCCNc2c3CCCCc3nc3ccc(OC)cc23)cccc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50587066 (CHEMBL5073819) Show SMILES Oc1cccc(CCCCCCCCNc2c3CCCCc3nc3ccccc23)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587061 (CHEMBL5072428) Show SMILES Oc1cccc(CCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1 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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50587064 (CHEMBL5082773) Show SMILES COC(=O)c1c(O)cccc1CCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587063 (CHEMBL5077234) Show SMILES COc1cc(CCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc(OC)c1 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	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587058 (CHEMBL5088557) Show SMILES COc1cccc(CCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1 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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50587055 (CHEMBL5091660) Show SMILES COc1cccc(CCCCCCCCNc2c3CCCCc3nc3ccccc23)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621711 ((2S,4R)-1-[(2S)-2-[10-[2-([[2,6-dimethoxy-4-(2-met...) Show SMILES COc1cc(cc(OC)c1CN(C)CC(=O)NCCCCCCCCCC(=O)N[C@@H](C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C)-c1cn(C)c(=O)c2cnccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621671 (US11773085, Compound B43 | methyl)-3,5-dimethoxyph...) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2[nH]ncc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621672 (US11773085, Compound B44 | methyl]-N-[8-(phenylami...) Show SMILES COc1cc(cc(OC)c1CN1CC(C1)C(=O)NCCCCCCCCNc1ccccc1)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621681 (4-[4-[(dimethylamino)methyl]-3-methoxy-5-(methylsu...) Show SMILES COc1cc(cc(SC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621698 (N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,...) Show SMILES COc1cc(cc(OC)c1CN(C)C(=O)CCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621699 (N-[8-[2-([[2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dih...) Show SMILES COc1cc(cc(OC)c1CN(C)CC(=O)NCCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621705 (N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,...) Show SMILES COc1cc(cc(OC)c1CN(C)C(=O)CCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621667 (US11773085, Compound B39 | cyclopropanesulfonamide...) Show SMILES COc1cc(cc(OC)c1CN(C)S(=O)(=O)C1CC1)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621708 (N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,...) Show SMILES COc1cc(cc(OC)c1CN(C)C(=O)CCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621706 (N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,...) Show SMILES COc1cc(cc(OC)c1CN(C)C(=O)CCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621666 (N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyrid...) Show SMILES COc1cc(cc(OC)c1CN(C)S(C)(=O)=O)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621663 (N-[[2,6-dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,...) Show SMILES CCS(=O)(=O)N(C)Cc1c(OC)cc(cc1OC)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621668 (US11773085, Compound B40 | ethylpropane-1-sulfonam...) Show SMILES COc1cc(cc(OC)c1CN(C)S(=O)(=O)CC(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621648 (4-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyp...) Show SMILES COc1cc(cc(OC)c1CN1CC(N)C1)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621662 (US11773085, Compound B34) Show SMILES CNC(=O)C1CN(Cc2c(OC)cc(cc2OC)-c2cn(C)c(=O)c3cnccc23)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50587065 (CHEMBL5087646) Show SMILES OC(=O)c1c(O)cccc1CCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587060 (CHEMBL5078914) Show SMILES OC(=O)c1c(O)cccc1CCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 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	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587059 (CHEMBL5092094) Show SMILES COC(=O)c1c(O)cccc1CCCCCCCCNc1c2CCCCc2nc2ccccc12 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	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50587061 (CHEMBL5072428) Show SMILES Oc1cccc(CCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587066 (CHEMBL5073819) Show SMILES Oc1cccc(CCCCCCCCNc2c3CCCCc3nc3ccccc23)c1 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	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587056 (CHEMBL5080685) Show SMILES COC(=O)c1c(CCCCCCCCNc2c3CCCCc3nc3ccccc23)cccc1OC 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	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50587058 (CHEMBL5088557) Show SMILES COc1cccc(CCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50587054 (CHEMBL5088541) Show SMILES COc1cc(CCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587055 (CHEMBL5091660) Show SMILES COc1cccc(CCCCCCCCNc2c3CCCCc3nc3ccccc23)c1 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	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					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	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using ZMAL (Z-(Ac)Lys-AMC fluorogenic substrate incubated for 90 mins by fluorescence method				ACS Med Chem Lett 10: 671-676 (2019) Article DOI: 10.1021/acsmedchemlett.9b00071 BindingDB Entry DOI: 10.7270/Q2BP068P
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50587054 (CHEMBL5088541) Show SMILES COc1cc(CCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1 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	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00048 BindingDB Entry DOI: 10.7270/Q24F1VNK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621546 (US11773085, Compound B14) Show SMILES CNCc1ccc(cc1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621554 (US11773085, Compound B15) Show SMILES CNCc1ccc(cc1C#N)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621588 (2-cyclopropyl-4-[3,5-dimethoxy-4-[(methylamino)met...) Show SMILES CNCc1c(OC)cc(cc1OC)-c1cn(C2CC2)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621649 (US11773085, Compound B21 | acid ) Show SMILES COc1cc(cc(OC)c1CN1CC(C1)C(O)=O)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621650 (2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dim...) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C2CC2)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM50183449 (CHEMBL3823101 | US11773085, Compound B23) Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM50183448 (CHEMBL3823478 | US11773085, Compound B2) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621656 (3-amino-5-(4-((dimethylamino)methyl)-3,5-dimethoxy...) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cc(N)c(=O)n(C)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621660 (N-(5-[4-[(dimethylamino)methyl]-3,5-dimethoxypheny...) Show SMILES CCOC(=O)Nc1cc(cn(C)c1=O)-c1cc(OC)c(CN(C)C)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 [133-239] (Homo sapiens (Human))	BDBM621664 (4-[4-[(dimethylamino)methyl]-3-(methylsulfanyl)phe...) Show SMILES CSc1cc(ccc1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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