BDBM50116646 7,8-Bis-benzyloxy-6-benzyloxymethyl-3-methyl-6,7,8,8a-tetrahydro-4aH-4,5-dioxa-1-thia-naphthalene-2-carboxylic acid phenyl ester::CHEMBL311815

SMILES: CC1=C(SC2C(OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)O1)C(=O)Oc1ccccc1

InChI Key: InChIKey=SHHRARTUCNTDKY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50116646   

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
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50116646 (7,8-Bis-benzyloxy-6-benzyloxymethyl-3-methyl-6,7,8...) Show SMILES CC1=C(SC2C(OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)O1)C(=O)Oc1ccccc1 |t:1| Show InChI InChI=1S/C37H36O7S/c1-26-34(36(38)43-30-20-12-5-13-21-30)45-35-33(41-24-29-18-10-4-11-19-29)32(40-23-28-16-8-3-9-17-28)31(44-37(35)42-26)25-39-22-27-14-6-2-7-15-27/h2-21,31-33,35,37H,22-25H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Displacement of [125I]-NKA from human Tachykinin receptor 2 expressed in CHO cells				Bioorg Med Chem Lett 12: 2263-6 (2002) BindingDB Entry DOI: 10.7270/Q20864NT
					More data for this Ligand-Target Pair