BDBM172719 US9096515, 12q::US9296681, 12q

SMILES: CCC(=O)OCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=XCAMEKYVLTTXGP-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 = 172719   

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 dopamine transporter (Homo sapiens (Human))	BDBM172719 (US9096515, 12q | US9296681, 12q) Show SMILES CCC(=O)OCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H29Cl2NO2/c1-4-19(24)25-11-10-23-18(12-14(2)3)20(8-5-9-20)15-6-7-16(21)17(22)13-15/h6-7,13-14,18,23H,4-5,8-12H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.20	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 dopamine transporter (Homo sapiens (Human))	BDBM172719 (US9096515, 12q | US9296681, 12q) Show SMILES CCC(=O)OCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H29Cl2NO2/c1-4-19(24)25-11-10-23-18(12-14(2)3)20(8-5-9-20)15-6-7-16(21)17(22)13-15/h6-7,13-14,18,23H,4-5,8-12H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.20	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))	BDBM172719 (US9096515, 12q | US9296681, 12q) Show SMILES CCC(=O)OCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H29Cl2NO2/c1-4-19(24)25-11-10-23-18(12-14(2)3)20(8-5-9-20)15-6-7-16(21)17(22)13-15/h6-7,13-14,18,23H,4-5,8-12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.6	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))	BDBM172719 (US9096515, 12q | US9296681, 12q) Show SMILES CCC(=O)OCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H29Cl2NO2/c1-4-19(24)25-11-10-23-18(12-14(2)3)20(8-5-9-20)15-6-7-16(21)17(22)13-15/h6-7,13-14,18,23H,4-5,8-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.6	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))	BDBM172719 (US9096515, 12q | US9296681, 12q) Show SMILES CCC(=O)OCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H29Cl2NO2/c1-4-19(24)25-11-10-23-18(12-14(2)3)20(8-5-9-20)15-6-7-16(21)17(22)13-15/h6-7,13-14,18,23H,4-5,8-12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38.2	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 noradrenaline transporter (Homo sapiens (Human))	BDBM172719 (US9096515, 12q | US9296681, 12q) Show SMILES CCC(=O)OCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H29Cl2NO2/c1-4-19(24)25-11-10-23-18(12-14(2)3)20(8-5-9-20)15-6-7-16(21)17(22)13-15/h6-7,13-14,18,23H,4-5,8-12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38.2	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