BDBM248024 US9434724, 39

SMILES: COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl

InChI Key: InChIKey=JGMCXSXPMCYLRN-UHFFFAOYSA-N

Data: 1 KI  7 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 7 hits for monomerid = 248024   

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))	BDBM248024 (US9434724, 39) Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl Show InChI InChI=1S/C18H21ClN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20.6	-10.9	23.9	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 3A4 (Homo sapiens (Human))	BDBM248024 (US9434724, 39) Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl Show InChI InChI=1S/C18H21ClN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3	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	37
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM248024 (US9434724, 39) Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl Show InChI InChI=1S/C18H21ClN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3	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	37
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM248024 (US9434724, 39) Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl Show InChI InChI=1S/C18H21ClN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3	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	37
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM248024 (US9434724, 39) Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl Show InChI InChI=1S/C18H21ClN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3	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	37
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM248024 (US9434724, 39) Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl Show InChI InChI=1S/C18H21ClN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3	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	37
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM248024 (US9434724, 39) Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl Show InChI InChI=1S/C18H21ClN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3	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	37
ALPHARMAGEN, LLC US Patent					Assay Description Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for ...				US Patent US9434724 (2016) BindingDB Entry DOI: 10.7270/Q2M32TPW
					More data for this Ligand-Target Pair