BDBM248023 US9434724, 36

SMILES: COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12

InChI Key: InChIKey=BJTBFGMTCQAKKH-UHFFFAOYSA-N

Data: 1 KI  6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 248023   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM248023 (US9434724, 36) Show SMILES COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12 Show InChI InChI=1S/C18H22N2O3/c1-22-15-4-2-3-14-16(15)13(11-19-14)17(21)23-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42.3	-10.5	48.9	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))	BDBM248023 (US9434724, 36) Show SMILES COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12 Show InChI InChI=1S/C18H22N2O3/c1-22-15-4-2-3-14-16(15)13(11-19-14)17(21)23-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3	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 1A (Homo sapiens (Human))	BDBM248023 (US9434724, 36) Show SMILES COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12 Show InChI InChI=1S/C18H22N2O3/c1-22-15-4-2-3-14-16(15)13(11-19-14)17(21)23-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank 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))	BDBM248023 (US9434724, 36) Show SMILES COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12 Show InChI InChI=1S/C18H22N2O3/c1-22-15-4-2-3-14-16(15)13(11-19-14)17(21)23-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM248023 (US9434724, 36) Show SMILES COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12 Show InChI InChI=1S/C18H22N2O3/c1-22-15-4-2-3-14-16(15)13(11-19-14)17(21)23-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM248023 (US9434724, 36) Show SMILES COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12 Show InChI InChI=1S/C18H22N2O3/c1-22-15-4-2-3-14-16(15)13(11-19-14)17(21)23-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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