Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'waksmunski' and Initial = 'fs'   

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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413094 (CHEMBL486116) Show SMILES COc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2ccc(F)c(F)c2)cc1OC Show InChI InChI=1S/C26H28F2N2O4/c1-32-24-11-9-21(15-25(24)33-2)34-13-12-30(17-20-8-10-22(27)23(28)14-20)18-26(31)29-16-19-6-4-3-5-7-19/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.6	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413093 (CHEMBL528990) Show SMILES COc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2ccc(F)cc2)cc1OC Show InChI InChI=1S/C26H29FN2O4/c1-31-24-13-12-23(16-25(24)32-2)33-15-14-29(18-21-8-10-22(27)11-9-21)19-26(30)28-17-20-6-4-3-5-7-20/h3-13,16H,14-15,17-19H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413092 (CHEMBL519258) Show SMILES COc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2ccccc2)cc1OC Show InChI InChI=1S/C26H30N2O4/c1-30-24-14-13-23(17-25(24)31-2)32-16-15-28(19-22-11-7-4-8-12-22)20-26(29)27-18-21-9-5-3-6-10-21/h3-14,17H,15-16,18-20H2,1-2H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413100 (CHEMBL485915) Show SMILES COc1ccc(OCCCN(CC(=O)NCc2ccccc2)Cc2ccccc2)cc1OC Show InChI InChI=1S/C27H32N2O4/c1-31-25-15-14-24(18-26(25)32-2)33-17-9-16-29(20-23-12-7-4-8-13-23)21-27(30)28-19-22-10-5-3-6-11-22/h3-8,10-15,18H,9,16-17,19-21H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51.3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413098 (CHEMBL485716) Show SMILES COc1ccc(OCCN(CC(=O)NCc2ccccc2Cl)Cc2ccc(F)c(F)c2)cc1OC Show InChI InChI=1S/C26H27ClF2N2O4/c1-33-24-10-8-20(14-25(24)34-2)35-12-11-31(16-18-7-9-22(28)23(29)13-18)17-26(32)30-15-19-5-3-4-6-21(19)27/h3-10,13-14H,11-12,15-17H2,1-2H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81.3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413102 (CHEMBL486542) Show SMILES COc1ccc(OCCCN(CC(=O)NCc2ccccc2)Cc2ccc(F)c(F)c2)cc1OC Show InChI InChI=1S/C27H30F2N2O4/c1-33-25-12-10-22(16-26(25)34-2)35-14-6-13-31(18-21-9-11-23(28)24(29)15-21)19-27(32)30-17-20-7-4-3-5-8-20/h3-5,7-12,15-16H,6,13-14,17-19H2,1-2H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413095 (CHEMBL486117) Show SMILES COc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2cccs2)cc1OC Show InChI InChI=1S/C24H28N2O4S/c1-28-22-11-10-20(15-23(22)29-2)30-13-12-26(17-21-9-6-14-31-21)18-24(27)25-16-19-7-4-3-5-8-19/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413101 (CHEMBL486747) Show SMILES COc1ccc(OCCCN(CC(=O)NCc2ccccc2)Cc2cccs2)cc1OC Show InChI InChI=1S/C25H30N2O4S/c1-29-23-12-11-21(16-24(23)30-2)31-14-7-13-27(18-22-10-6-15-32-22)19-25(28)26-17-20-8-4-3-5-9-20/h3-6,8-12,15-16H,7,13-14,17-19H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413097 (CHEMBL521024) Show SMILES COc1ccc(OCCN(CC(=O)NCc2ccccc2Cl)Cc2ccc(F)cc2)cc1OC Show InChI InChI=1S/C26H28ClFN2O4/c1-32-24-12-11-22(15-25(24)33-2)34-14-13-30(17-19-7-9-21(28)10-8-19)18-26(31)29-16-20-5-3-4-6-23(20)27/h3-12,15H,13-14,16-18H2,1-2H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413096 (CHEMBL486323) Show SMILES COc1ccc(OCCN(CC(=O)NCc2ccccc2Cl)Cc2ccccc2)cc1OC Show InChI InChI=1S/C26H29ClN2O4/c1-31-24-13-12-22(16-25(24)32-2)33-15-14-29(18-20-8-4-3-5-9-20)19-26(30)28-17-21-10-6-7-11-23(21)27/h3-13,16H,14-15,17-19H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413099 (CHEMBL485717) Show SMILES COc1ccc(OCCN(CC(=O)NCc2ccccc2Cl)Cc2cccs2)cc1OC Show InChI InChI=1S/C24H27ClN2O4S/c1-29-22-10-9-19(14-23(22)30-2)31-12-11-27(16-20-7-5-13-32-20)17-24(28)26-15-18-6-3-4-8-21(18)25/h3-10,13-14H,11-12,15-17H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413090 (CHEMBL487979) Show SMILES COc1ccc(OCCN(CC(=O)NCC(C)C)Cc2ccc(F)c(F)c2)cc1OC Show InChI InChI=1S/C23H30F2N2O4/c1-16(2)13-26-23(28)15-27(14-17-5-7-19(24)20(25)11-17)9-10-31-18-6-8-21(29-3)22(12-18)30-4/h5-8,11-12,16H,9-10,13-15H2,1-4H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413088 (CHEMBL487576) Show SMILES COc1ccc(OCCN(CC(=O)NCC(C)C)Cc2ccccc2)cc1OC Show InChI InChI=1S/C23H32N2O4/c1-18(2)15-24-23(26)17-25(16-19-8-6-5-7-9-19)12-13-29-20-10-11-21(27-3)22(14-20)28-4/h5-11,14,18H,12-13,15-17H2,1-4H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413091 (CHEMBL487980) Show SMILES COc1ccc(OCCN(CC(=O)NCC(C)C)Cc2cccs2)cc1OC Show InChI InChI=1S/C21H30N2O4S/c1-16(2)13-22-21(24)15-23(14-18-6-5-11-28-18)9-10-27-17-7-8-19(25-3)20(12-17)26-4/h5-8,11-12,16H,9-10,13-15H2,1-4H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50413089 (CHEMBL487782) Show SMILES COc1ccc(OCCN(CC(=O)NCC(C)C)Cc2ccc(F)cc2)cc1OC Show InChI InChI=1S/C23H31FN2O4/c1-17(2)14-25-23(27)16-26(15-18-5-7-19(24)8-6-18)11-12-30-20-9-10-21(28-3)22(13-20)29-4/h5-10,13,17H,11-12,14-16H2,1-4H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...				Bioorg Med Chem Lett 18: 5420-3 (2008) Article DOI: 10.1016/j.bmcl.2008.09.038 BindingDB Entry DOI: 10.7270/Q27082N5
					More data for this Ligand-Target Pair