Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 248019   

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
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM248019 (US9434724, 30) Show SMILES O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc3OCCOc3cc12 Show InChI InChI=1S/C19H22N2O4/c22-18(25-12-19-1-4-21(5-2-19)6-3-19)14-11-20-15-10-17-16(9-13(14)15)23-7-8-24-17/h9-11,20H,1-8,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	81.1	-42.1	92.5	n/a	n/a	n/a	n/a	7.4	37
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM248019 (US9434724, 30) Show SMILES O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc3OCCOc3cc12 Show InChI InChI=1S/C19H22N2O4/c22-18(25-12-19-1-4-21(5-2-19)6-3-19)14-11-20-15-10-17-16(9-13(14)15)23-7-8-24-17/h9-11,20H,1-8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM248019 (US9434724, 30) Show SMILES O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc3OCCOc3cc12 Show InChI InChI=1S/C19H22N2O4/c22-18(25-12-19-1-4-21(5-2-19)6-3-19)14-11-20-15-10-17-16(9-13(14)15)23-7-8-24-17/h9-11,20H,1-8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM248019 (US9434724, 30) Show SMILES O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc3OCCOc3cc12 Show InChI InChI=1S/C19H22N2O4/c22-18(25-12-19-1-4-21(5-2-19)6-3-19)14-11-20-15-10-17-16(9-13(14)15)23-7-8-24-17/h9-11,20H,1-8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM248019 (US9434724, 30) Show SMILES O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc3OCCOc3cc12 Show InChI InChI=1S/C19H22N2O4/c22-18(25-12-19-1-4-21(5-2-19)6-3-19)14-11-20-15-10-17-16(9-13(14)15)23-7-8-24-17/h9-11,20H,1-8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM248019 (US9434724, 30) Show SMILES O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc3OCCOc3cc12 Show InChI InChI=1S/C19H22N2O4/c22-18(25-12-19-1-4-21(5-2-19)6-3-19)14-11-20-15-10-17-16(9-13(14)15)23-7-8-24-17/h9-11,20H,1-8,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were d...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair