Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'lozinska' and Initial = 'i'   

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))	BDBM132084 (US8841453, 15) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C38H51N5O3/c1-28(44)39-25-22-29-27-42-34-21-20-30(26-33(29)34)46-38(45)41-24-15-9-7-5-3-2-4-6-8-14-23-40-37-31-16-10-12-18-35(31)43-36-19-13-11-17-32(36)37/h10,12,16,18,20-21,26-27,42H,2-9,11,13-15,17,19,22-25H2,1H3,(H,39,44)(H,40,43)(H,41,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132080 (US8841453, 11) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C34H43N5O3/c1-24(40)35-21-18-25-23-38-30-17-16-26(22-29(25)30)42-34(41)37-20-11-5-3-2-4-10-19-36-33-27-12-6-8-14-31(27)39-32-15-9-7-13-28(32)33/h6,8,12,14,16-17,22-23,38H,2-5,7,9-11,13,15,18-21H2,1H3,(H,35,40)(H,36,39)(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132071 (US8841453, 1) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C33H41N5O3/c1-23(39)34-20-17-24-22-37-29-16-15-25(21-28(24)29)41-33(40)36-19-10-4-2-3-9-18-35-32-26-11-5-7-13-30(26)38-31-14-8-6-12-27(31)32/h5,7,11,13,15-16,21-22,37H,2-4,6,8-10,12,14,17-20H2,1H3,(H,34,39)(H,35,38)(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132083 (US8841453, 14) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C36H47N5O3/c1-26(42)37-23-20-27-25-40-32-19-18-28(24-31(27)32)44-36(43)39-22-13-7-5-3-2-4-6-12-21-38-35-29-14-8-10-16-33(29)41-34-17-11-9-15-30(34)35/h8,10,14,16,18-19,24-25,40H,2-7,9,11-13,15,17,20-23H2,1H3,(H,37,42)(H,38,41)(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132074 (US8841453, 4) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12 Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-28(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-19-24(34)11-13-27(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132088 (US8841453, 17) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12 Show InChI InChI=1S/C38H50ClN5O3/c1-27(45)40-23-20-28-26-43-34-19-17-30(25-32(28)34)47-38(46)42-22-13-9-7-5-3-2-4-6-8-12-21-41-37-31-14-10-11-15-35(31)44-36-18-16-29(39)24-33(36)37/h16-19,24-26,43H,2-15,20-23H2,1H3,(H,40,45)(H,41,44)(H,42,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132081 (US8841453, 12) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12 Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-27(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-13-11-24(34)19-28(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132083 (US8841453, 14) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C36H47N5O3/c1-26(42)37-23-20-27-25-40-32-19-18-28(24-31(27)32)44-36(43)39-22-13-7-5-3-2-4-6-12-21-38-35-29-14-8-10-16-33(29)41-34-17-11-9-15-30(34)35/h8,10,14,16,18-19,24-25,40H,2-7,9,11-13,15,17,20-23H2,1H3,(H,37,42)(H,38,41)(H,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.18	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132086 (US8841453, 18) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12 Show InChI InChI=1S/C36H46ClN5O3/c1-25(43)38-21-18-26-24-41-32-17-15-28(23-31(26)32)45-36(44)40-20-11-7-5-3-2-4-6-10-19-39-35-29-12-8-9-13-33(29)42-34-22-27(37)14-16-30(34)35/h14-17,22-24,41H,2-13,18-21H2,1H3,(H,38,43)(H,39,42)(H,40,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132087 (US8841453, 19) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12 Show InChI InChI=1S/C38H50ClN5O3/c1-27(45)40-23-20-28-26-43-34-19-17-30(25-33(28)34)47-38(46)42-22-13-9-7-5-3-2-4-6-8-12-21-41-37-31-14-10-11-15-35(31)44-36-24-29(39)16-18-32(36)37/h16-19,24-26,43H,2-15,20-23H2,1H3,(H,40,45)(H,41,44)(H,42,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.31	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132085 (US8841453, 16) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12 Show InChI InChI=1S/C36H46ClN5O3/c1-25(43)38-21-18-26-24-41-32-17-15-28(23-30(26)32)45-36(44)40-20-11-7-5-3-2-4-6-10-19-39-35-29-12-8-9-13-33(29)42-34-16-14-27(37)22-31(34)35/h14-17,22-24,41H,2-13,18-21H2,1H3,(H,38,43)(H,39,42)(H,40,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.43	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132085 (US8841453, 16) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12 Show InChI InChI=1S/C36H46ClN5O3/c1-25(43)38-21-18-26-24-41-32-17-15-28(23-30(26)32)45-36(44)40-20-11-7-5-3-2-4-6-10-19-39-35-29-12-8-9-13-33(29)42-34-16-14-27(37)22-31(34)35/h14-17,22-24,41H,2-13,18-21H2,1H3,(H,38,43)(H,39,42)(H,40,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.64	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132073 (US8841453, 3) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C32H39N5O3/c1-22(38)33-19-16-23-21-36-28-15-14-24(20-27(23)28)40-32(39)35-18-9-3-2-8-17-34-31-25-10-4-6-12-29(25)37-30-13-7-5-11-26(30)31/h4,6,10,12,14-15,20-21,36H,2-3,5,7-9,11,13,16-19H2,1H3,(H,33,38)(H,34,37)(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.04	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132079 (US8841453, 10) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C31H37N5O3/c1-21(37)32-18-15-22-20-35-27-14-13-23(19-26(22)27)39-31(38)34-17-8-2-7-16-33-30-24-9-3-5-11-28(24)36-29-12-6-4-10-25(29)30/h3,5,9,11,13-14,19-20,35H,2,4,6-8,10,12,15-18H2,1H3,(H,32,37)(H,33,36)(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.07	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132076 (US8841453, 7) Show SMILES CC(=O)O[C@@]12CCN([C@@H]1N(C(C)=O)c1ccc(OC(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)cc21)C(C)=O |r| Show InChI InChI=1S/C36H43N5O6/c1-23(42)40-21-18-36(47-25(3)44)29-22-26(16-17-32(29)41(24(2)43)34(36)40)46-35(45)38-20-11-5-4-10-19-37-33-27-12-6-8-14-30(27)39-31-15-9-7-13-28(31)33/h6,8,12,14,16-17,22,34H,4-5,7,9-11,13,15,18-21H2,1-3H3,(H,37,39)(H,38,45)/t34-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.15	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132084 (US8841453, 15) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C38H51N5O3/c1-28(44)39-25-22-29-27-42-34-21-20-30(26-33(29)34)46-38(45)41-24-15-9-7-5-3-2-4-6-8-14-23-40-37-31-16-10-12-18-35(31)43-36-19-13-11-17-32(36)37/h10,12,16,18,20-21,26-27,42H,2-9,11,13-15,17,19,22-25H2,1H3,(H,39,44)(H,40,43)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439218 (CHEMBL2418809) Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1Cl Show InChI InChI=1S/C18H19ClFN3O3S/c1-9-4-3-5-23(10(9)2)17(24)15-16(19)27-18(22-15)21-12-7-14-13(6-11(12)20)25-8-26-14/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132072 (US8841453, 2) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C28H31N5O3/c1-18(34)29-13-12-19-17-32-24-11-10-20(16-23(19)24)36-28(35)31-15-14-30-27-21-6-2-4-8-25(21)33-26-9-5-3-7-22(26)27/h2,4,6,8,10-11,16-17,32H,3,5,7,9,12-15H2,1H3,(H,29,34)(H,30,33)(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.28	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132080 (US8841453, 11) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C34H43N5O3/c1-24(40)35-21-18-25-23-38-30-17-16-26(22-29(25)30)42-34(41)37-20-11-5-3-2-4-10-19-36-33-27-12-6-8-14-31(27)39-32-15-9-7-13-28(32)33/h6,8,12,14,16-17,22-23,38H,2-5,7,9-11,13,15,18-21H2,1H3,(H,35,40)(H,36,39)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.61	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132088 (US8841453, 17) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12 Show InChI InChI=1S/C38H50ClN5O3/c1-27(45)40-23-20-28-26-43-34-19-17-30(25-32(28)34)47-38(46)42-22-13-9-7-5-3-2-4-6-8-12-21-41-37-31-14-10-11-15-35(31)44-36-18-16-29(39)24-33(36)37/h16-19,24-26,43H,2-15,20-23H2,1H3,(H,40,45)(H,41,44)(H,42,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132074 (US8841453, 4) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12 Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-28(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-19-24(34)11-13-27(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132086 (US8841453, 18) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12 Show InChI InChI=1S/C36H46ClN5O3/c1-25(43)38-21-18-26-24-41-32-17-15-28(23-31(26)32)45-36(44)40-20-11-7-5-3-2-4-6-10-19-39-35-29-12-8-9-13-33(29)42-34-22-27(37)14-16-30(34)35/h14-17,22-24,41H,2-13,18-21H2,1H3,(H,38,43)(H,39,42)(H,40,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132082 (US8841453, 13) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12 Show InChI InChI=1S/C28H30ClN5O3/c1-17(35)30-11-10-18-16-33-24-9-7-20(15-22(18)24)37-28(36)32-13-12-31-27-21-4-2-3-5-25(21)34-26-8-6-19(29)14-23(26)27/h6-9,14-16,33H,2-5,10-13H2,1H3,(H,30,35)(H,31,34)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132078 (US8841453, 9) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C30H35N5O3/c1-20(36)31-17-14-21-19-34-26-13-12-22(18-25(21)26)38-30(37)33-16-7-6-15-32-29-23-8-2-4-10-27(23)35-28-11-5-3-9-24(28)29/h2,4,8,10,12-13,18-19,34H,3,5-7,9,11,14-17H2,1H3,(H,31,36)(H,32,35)(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439220 (CHEMBL2418807) Show SMILES CC1CCCN(C1C)C(=O)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C18H21N3O3S/c1-11-4-3-7-21(12(11)2)17(22)14-9-25-18(20-14)19-13-5-6-15-16(8-13)24-10-23-15/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439217 (CHEMBL2418811) Show SMILES C[C@H]1CCCN([C@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r| Show InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132075 (US8841453, 5) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12 Show InChI InChI=1S/C28H30ClN5O3/c1-17(35)30-11-10-18-16-33-24-9-7-20(15-23(18)24)37-28(36)32-13-12-31-27-21-4-2-3-5-25(21)34-26-14-19(29)6-8-22(26)27/h6-9,14-16,33H,2-5,10-13H2,1H3,(H,30,35)(H,31,34)(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20.1	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439219 (CHEMBL2418808) Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1C Show InChI InChI=1S/C19H22FN3O3S/c1-10-5-4-6-23(11(10)2)18(24)17-12(3)27-19(22-17)21-14-8-16-15(7-13(14)20)25-9-26-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132087 (US8841453, 19) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12 Show InChI InChI=1S/C38H50ClN5O3/c1-27(45)40-23-20-28-26-43-34-19-17-30(25-33(28)34)47-38(46)42-22-13-9-7-5-3-2-4-6-8-12-21-41-37-31-14-10-11-15-35(31)44-36-24-29(39)16-18-32(36)37/h16-19,24-26,43H,2-15,20-23H2,1H3,(H,40,45)(H,41,44)(H,42,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25.6	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439218 (CHEMBL2418809) Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1Cl Show InChI InChI=1S/C18H19ClFN3O3S/c1-9-4-3-5-23(10(9)2)17(24)15-16(19)27-18(22-15)21-12-7-14-13(6-11(12)20)25-8-26-14/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439213 (CHEMBL2418815) Show SMILES CC1N(CCc2ccccc12)C(=O)c1nc(Nc2ccc3OCOc3c2)sc1C Show InChI InChI=1S/C22H21N3O3S/c1-13-17-6-4-3-5-15(17)9-10-25(13)21(26)20-14(2)29-22(24-20)23-16-7-8-18-19(11-16)28-12-27-18/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132071 (US8841453, 1) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C33H41N5O3/c1-23(39)34-20-17-24-22-37-29-16-15-25(21-28(24)29)41-33(40)36-19-10-4-2-3-9-18-35-32-26-11-5-7-13-30(26)38-31-14-8-6-12-27(31)32/h5,7,11,13,15-16,21-22,37H,2-4,6,8-10,12,14,17-20H2,1H3,(H,34,39)(H,35,38)(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33.8	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132075 (US8841453, 5) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12 Show InChI InChI=1S/C28H30ClN5O3/c1-17(35)30-11-10-18-16-33-24-9-7-20(15-23(18)24)37-28(36)32-13-12-31-27-21-4-2-3-5-25(21)34-26-14-19(29)6-8-22(26)27/h6-9,14-16,33H,2-5,10-13H2,1H3,(H,30,35)(H,31,34)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34.5	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132076 (US8841453, 7) Show SMILES CC(=O)O[C@@]12CCN([C@@H]1N(C(C)=O)c1ccc(OC(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)cc21)C(C)=O |r| Show InChI InChI=1S/C36H43N5O6/c1-23(42)40-21-18-36(47-25(3)44)29-22-26(16-17-32(29)41(24(2)43)34(36)40)46-35(45)38-20-11-5-4-10-19-37-33-27-12-6-8-14-30(27)39-31-15-9-7-13-28(31)33/h6,8,12,14,16-17,22,34H,4-5,7,9-11,13,15,18-21H2,1-3H3,(H,37,39)(H,38,45)/t34-,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36.8	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132081 (US8841453, 12) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4ccc(Cl)cc34)cc12 Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-27(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-13-11-24(34)19-28(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	39.9	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439216 (CHEMBL2418812) Show SMILES C[C@@H]1CCCN([C@@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r| Show InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM132077 (US8841453, 8) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C29H33N5O3/c1-19(35)30-16-13-20-18-33-25-12-11-21(17-24(20)25)37-29(36)32-15-6-14-31-28-22-7-2-4-9-26(22)34-27-10-5-3-8-23(27)28/h2,4,7,9,11-12,17-18,33H,3,5-6,8,10,13-16H2,1H3,(H,30,35)(H,31,34)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	58.2	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439214 (CHEMBL2418814) Show SMILES CC1N(CCc2ccccc12)C(=O)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C21H19N3O3S/c1-13-16-5-3-2-4-14(16)8-9-24(13)20(25)17-11-28-21(23-17)22-15-6-7-18-19(10-15)27-12-26-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439221 (CHEMBL2418806) Show SMILES CC1CCCN(C1C)C(=O)c1csc(Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C18H23N3OS/c1-12-6-8-15(9-7-12)19-18-20-16(11-23-18)17(22)21-10-4-5-13(2)14(21)3/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439220 (CHEMBL2418807) Show SMILES CC1CCCN(C1C)C(=O)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C18H21N3O3S/c1-11-4-3-7-21(12(11)2)17(22)14-9-25-18(20-14)19-13-5-6-15-16(8-13)24-10-23-15/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439217 (CHEMBL2418811) Show SMILES C[C@H]1CCCN([C@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r| Show InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439219 (CHEMBL2418808) Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1C Show InChI InChI=1S/C19H22FN3O3S/c1-10-5-4-6-23(11(10)2)18(24)17-12(3)27-19(22-17)21-14-8-16-15(7-13(14)20)25-9-26-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439227 (CHEMBL2418823) Show SMILES CC1CCN(CC1)C(=O)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C17H19N3O3S/c1-11-4-6-20(7-5-11)16(21)13-9-24-17(19-13)18-12-2-3-14-15(8-12)23-10-22-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50439215 (CHEMBL2418813) Show SMILES O=C(N1CCc2ccccc2C1)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C20H17N3O3S/c24-19(23-8-7-13-3-1-2-4-14(13)10-23)16-11-27-20(22-16)21-15-5-6-17-18(9-15)26-12-25-17/h1-6,9,11H,7-8,10,12H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132073 (US8841453, 3) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C32H39N5O3/c1-22(38)33-19-16-23-21-36-28-15-14-24(20-27(23)28)40-32(39)35-18-9-3-2-8-17-34-31-25-10-4-6-12-29(25)37-30-13-7-5-11-26(30)31/h4,6,10,12,14-15,20-21,36H,2-3,5,7-9,11,13,16-19H2,1H3,(H,33,38)(H,34,37)(H,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132079 (US8841453, 10) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C31H37N5O3/c1-21(37)32-18-15-22-20-35-27-14-13-23(19-26(22)27)39-31(38)34-17-8-2-7-16-33-30-24-9-3-5-11-28(24)36-29-12-6-4-10-25(29)30/h3,5,9,11,13-14,19-20,35H,2,4,6-8,10,12,15-18H2,1H3,(H,32,37)(H,33,36)(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439221 (CHEMBL2418806) Show SMILES CC1CCCN(C1C)C(=O)c1csc(Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C18H23N3OS/c1-12-6-8-15(9-7-12)19-18-20-16(11-23-18)17(22)21-10-4-5-13(2)14(21)3/h6-9,11,13-14H,4-5,10H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439216 (CHEMBL2418812) Show SMILES C[C@@H]1CCCN([C@@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r| Show InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM132077 (US8841453, 8) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCNc3c4CCCCc4nc4ccccc34)cc12 Show InChI InChI=1S/C29H33N5O3/c1-19(35)30-16-13-20-18-33-25-12-11-21(17-24(20)25)37-29(36)32-15-6-14-31-28-22-7-2-4-9-26(22)34-27-10-5-3-8-23(27)28/h2,4,7,9,11-12,17-18,33H,3,5-6,8,10,13-16H2,1H3,(H,30,35)(H,31,34)(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego US Patent					Assay Description The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....				US Patent US8841453 (2014) BindingDB Entry DOI: 10.7270/Q2W957VS
					More data for this Ligand-Target Pair
Short transient receptor potential channel 3 (Homo sapiens (Human))	BDBM50439214 (CHEMBL2418814) Show SMILES CC1N(CCc2ccccc12)C(=O)c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C21H19N3O3S/c1-13-16-5-3-2-4-14(16)8-9-24(13)20(25)17-11-28-21(23-17)22-15-6-7-18-19(10-15)27-12-26-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay				Bioorg Med Chem Lett 23: 4979-84 (2013) Article DOI: 10.1016/j.bmcl.2013.06.047 BindingDB Entry DOI: 10.7270/Q2319X9H
					More data for this Ligand-Target Pair

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