Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'brown' and Initial = 'rcd'   

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))	BDBM50005566 (CHEMBL139018 | CHEMBL3234588) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C23H26N4O2/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23/h1,3,8,10,12-13,15,28-29H,2,4-7,9,11,14H2,(H,24,27)/b25-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458949 (CHEMBL4216666) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccc(Cl)cc23)ccc1O Show InChI InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458950 (CHEMBL77510 | Pyridine-2-Carbaldehyde Oxime) Show SMILES O\N=C\c1ccccn1 Show InChI InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H/b8-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 | Obidoxime) Show SMILES O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 | Obidoxime) Show SMILES O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of NIMP-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mi...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005566 (CHEMBL139018 | CHEMBL3234588) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C23H26N4O2/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23/h1,3,8,10,12-13,15,28-29H,2,4-7,9,11,14H2,(H,24,27)/b25-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of NIMP-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mi...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458949 (CHEMBL4216666) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccc(Cl)cc23)ccc1O Show InChI InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of NIMP-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mi...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458950 (CHEMBL77510 | Pyridine-2-Carbaldehyde Oxime) Show SMILES O\N=C\c1ccccn1 Show InChI InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H/b8-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458950 (CHEMBL77510 | Pyridine-2-Carbaldehyde Oxime) Show SMILES O\N=C\c1ccccn1 Show InChI InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H/b8-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.90E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 m...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458949 (CHEMBL4216666) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccc(Cl)cc23)ccc1O Show InChI InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 m...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of ethyl paraoxon-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for ...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 | Obidoxime) Show SMILES O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	5.50E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of ethyl paraoxon-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for ...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458949 (CHEMBL4216666) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccc(Cl)cc23)ccc1O Show InChI InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458950 (CHEMBL77510 | Pyridine-2-Carbaldehyde Oxime) Show SMILES O\N=C\c1ccccn1 Show InChI InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H/b8-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of ethyl paraoxon-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for ...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of NIMP-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mi...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458950 (CHEMBL77510 | Pyridine-2-Carbaldehyde Oxime) Show SMILES O\N=C\c1ccccn1 Show InChI InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H/b8-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of NIMP-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mi...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458949 (CHEMBL4216666) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccc(Cl)cc23)ccc1O Show InChI InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of ethyl paraoxon-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for ...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 m...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair