BDBM172722 US9096515, 21b::US9296681, 21b

SMILES: CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(OCC)cc1

InChI Key: InChIKey=BKVALIDOPGIDPZ-UHFFFAOYSA-N

Data: 6 KI

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 = 172722   

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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM172722 (US9096515, 21b | US9296681, 21b) Show SMILES CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(OCC)cc1 Show InChI InChI=1S/C22H36N2O3/c1-5-26-19-10-8-18(9-11-19)22(12-7-13-22)20(16-17(3)4)23-14-15-24-21(25)27-6-2/h8-11,17,20,23H,5-7,12-16H2,1-4H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
REVIVA PHARMACEUTICALS, INC. US Patent					Assay Description The monoamine transporters inhibitory activities of selected compounds cycloalkylmethylamine derivatives comprising Formula (I) are reported herein. ...				US Patent US9096515 (2015) BindingDB Entry DOI: 10.7270/Q2Z60MTK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM172722 (US9096515, 21b | US9296681, 21b) Show SMILES CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(OCC)cc1 Show InChI InChI=1S/C22H36N2O3/c1-5-26-19-10-8-18(9-11-19)22(12-7-13-22)20(16-17(3)4)23-14-15-24-21(25)27-6-2/h8-11,17,20,23H,5-7,12-16H2,1-4H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
REVIVA PHARMACEUTICALS, INC. US Patent					Assay Description The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...				US Patent US9296681 (2016) BindingDB Entry DOI: 10.7270/Q22B8WW4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM172722 (US9096515, 21b | US9296681, 21b) Show SMILES CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(OCC)cc1 Show InChI InChI=1S/C22H36N2O3/c1-5-26-19-10-8-18(9-11-19)22(12-7-13-22)20(16-17(3)4)23-14-15-24-21(25)27-6-2/h8-11,17,20,23H,5-7,12-16H2,1-4H3,(H,24,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
REVIVA PHARMACEUTICALS, INC. US Patent					Assay Description The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...				US Patent US9296681 (2016) BindingDB Entry DOI: 10.7270/Q22B8WW4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM172722 (US9096515, 21b | US9296681, 21b) Show SMILES CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(OCC)cc1 Show InChI InChI=1S/C22H36N2O3/c1-5-26-19-10-8-18(9-11-19)22(12-7-13-22)20(16-17(3)4)23-14-15-24-21(25)27-6-2/h8-11,17,20,23H,5-7,12-16H2,1-4H3,(H,24,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
REVIVA PHARMACEUTICALS, INC. US Patent					Assay Description The monoamine transporters inhibitory activities of selected compounds cycloalkylmethylamine derivatives comprising Formula (I) are reported herein. ...				US Patent US9096515 (2015) BindingDB Entry DOI: 10.7270/Q2Z60MTK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM172722 (US9096515, 21b | US9296681, 21b) Show SMILES CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(OCC)cc1 Show InChI InChI=1S/C22H36N2O3/c1-5-26-19-10-8-18(9-11-19)22(12-7-13-22)20(16-17(3)4)23-14-15-24-21(25)27-6-2/h8-11,17,20,23H,5-7,12-16H2,1-4H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
REVIVA PHARMACEUTICALS, INC. US Patent					Assay Description The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...				US Patent US9296681 (2016) BindingDB Entry DOI: 10.7270/Q22B8WW4
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM172722 (US9096515, 21b | US9296681, 21b) Show SMILES CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(OCC)cc1 Show InChI InChI=1S/C22H36N2O3/c1-5-26-19-10-8-18(9-11-19)22(12-7-13-22)20(16-17(3)4)23-14-15-24-21(25)27-6-2/h8-11,17,20,23H,5-7,12-16H2,1-4H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
REVIVA PHARMACEUTICALS, INC. US Patent					Assay Description The monoamine transporters inhibitory activities of selected compounds cycloalkylmethylamine derivatives comprising Formula (I) are reported herein. ...				US Patent US9096515 (2015) BindingDB Entry DOI: 10.7270/Q2Z60MTK
					More data for this Ligand-Target Pair