BDBM50148373 5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naphthalene-1,2-diol::CHEMBL326713

SMILES: CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1

InChI Key: InChIKey=GGNUKUMOMWBKFX-INIZCTEOSA-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 = 50148373   

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 serotonin transporter (Homo sapiens (Human))	BDBM50148373 (5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...) Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1 Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter				Bioorg Med Chem Lett 14: 3481-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.066 BindingDB Entry DOI: 10.7270/Q24Q7TFH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50148373 (5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...) Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1 Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter				Bioorg Med Chem Lett 14: 3481-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.066 BindingDB Entry DOI: 10.7270/Q24Q7TFH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50148373 (5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...) Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1 Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.54E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter				Bioorg Med Chem Lett 14: 3481-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.066 BindingDB Entry DOI: 10.7270/Q24Q7TFH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50148373 (5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...) Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1 Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.95E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter				Bioorg Med Chem Lett 14: 3481-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.066 BindingDB Entry DOI: 10.7270/Q24Q7TFH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50148373 (5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...) Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1 Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.28E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter				Bioorg Med Chem Lett 14: 3481-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.066 BindingDB Entry DOI: 10.7270/Q24Q7TFH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50148373 (5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...) Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1 Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter				Bioorg Med Chem Lett 14: 3481-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.066 BindingDB Entry DOI: 10.7270/Q24Q7TFH
					More data for this Ligand-Target Pair