BDBM247971 US9434724, 53

SMILES: Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2

InChI Key: InChIKey=JKAWTKSLLNVOJM-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 = 247971   

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))	BDBM247971 (US9434724, 53) Show SMILES Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2 Show InChI InChI=1S/C17H19BrN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	-10.4	53.6	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))	BDBM247971 (US9434724, 53) Show SMILES Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2 Show InChI InChI=1S/C17H19BrN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2	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))	BDBM247971 (US9434724, 53) Show SMILES Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2 Show InChI InChI=1S/C17H19BrN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2	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))	BDBM247971 (US9434724, 53) Show SMILES Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2 Show InChI InChI=1S/C17H19BrN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2	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))	BDBM247971 (US9434724, 53) Show SMILES Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2 Show InChI InChI=1S/C17H19BrN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2	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))	BDBM247971 (US9434724, 53) Show SMILES Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2 Show InChI InChI=1S/C17H19BrN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2	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))	BDBM247971 (US9434724, 53) Show SMILES Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2 Show InChI InChI=1S/C17H19BrN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2	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