BDBM87021 (S)-2-((S)-(4-chloro-2-methoxyphenoxy)(o-tolyl)methyl)morpholine::CAS_44450090::NSC_44450090

SMILES: COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1C

InChI Key: InChIKey=QMMAMXVYCMLPGH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 87021   

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))	BDBM87021 ((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(o-tolyl)met...) Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1C Show InChI InChI=1S/C19H22ClNO3/c1-13-5-3-4-6-15(13)19(18-12-21-9-10-23-18)24-16-8-7-14(20)11-17(16)22-2/h3-8,11,18-19,21H,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 2562-6 (2008) Article DOI: 10.1016/j.bmcl.2008.03.050 BindingDB Entry DOI: 10.7270/Q2Z036RS
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM87021 ((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(o-tolyl)met...) Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1C Show InChI InChI=1S/C19H22ClNO3/c1-13-5-3-4-6-15(13)19(18-12-21-9-10-23-18)24-16-8-7-14(20)11-17(16)22-2/h3-8,11,18-19,21H,9-10,12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 2562-6 (2008) Article DOI: 10.1016/j.bmcl.2008.03.050 BindingDB Entry DOI: 10.7270/Q2Z036RS
					More data for this Ligand-Target Pair