BDBM202591 US10035761, Compound 17a::US9238625, 17a

SMILES: CCS(=O)(=O)CCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=ARPXHYYIWQDDIQ-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 = 202591   

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))	BDBM202591 (US10035761, Compound 17a | US9238625, 17a) Show SMILES CCS(=O)(=O)CCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H33Cl2NO2S/c1-4-27(25,26)13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Revivia Pharmaceuticals, Inc. US Patent					Assay Description The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...				US Patent US10035761 (2018) BindingDB Entry DOI: 10.7270/Q2D220N9
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM202591 (US10035761, Compound 17a | US9238625, 17a) Show SMILES CCS(=O)(=O)CCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H33Cl2NO2S/c1-4-27(25,26)13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29.4	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 US9238625 (2016) BindingDB Entry DOI: 10.7270/Q2CV4GKK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM202591 (US10035761, Compound 17a | US9238625, 17a) Show SMILES CCS(=O)(=O)CCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H33Cl2NO2S/c1-4-27(25,26)13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Revivia Pharmaceuticals, Inc. US Patent					Assay Description The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...				US Patent US10035761 (2018) BindingDB Entry DOI: 10.7270/Q2D220N9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM202591 (US10035761, Compound 17a | US9238625, 17a) Show SMILES CCS(=O)(=O)CCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H33Cl2NO2S/c1-4-27(25,26)13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38.4	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 US9238625 (2016) BindingDB Entry DOI: 10.7270/Q2CV4GKK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM202591 (US10035761, Compound 17a | US9238625, 17a) Show SMILES CCS(=O)(=O)CCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H33Cl2NO2S/c1-4-27(25,26)13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Revivia Pharmaceuticals, Inc. US Patent					Assay Description The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...				US Patent US10035761 (2018) BindingDB Entry DOI: 10.7270/Q2D220N9
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM202591 (US10035761, Compound 17a | US9238625, 17a) Show SMILES CCS(=O)(=O)CCCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H33Cl2NO2S/c1-4-27(25,26)13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44.7	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 US9238625 (2016) BindingDB Entry DOI: 10.7270/Q2CV4GKK
					More data for this Ligand-Target Pair