BDBM50116648 7-Benzyloxy-6-benzyloxymethyl-8-hydroxy-3-methyl-6,7,8,8a-tetrahydro-4aH-4,5-dioxa-1-thia-naphthalene-2-carboxylic acid ethyl ester::CHEMBL72979

SMILES: CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(O)C2S1

InChI Key: InChIKey=KLQUNDOIRWHEPS-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 = 50116648   

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))	BDBM50116648 (7-Benzyloxy-6-benzyloxymethyl-8-hydroxy-3-methyl-6...) Show SMILES CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(O)C2S1 |c:5| Show InChI InChI=1S/C26H30O7S/c1-3-30-25(28)23-17(2)32-26-24(34-23)21(27)22(31-15-19-12-8-5-9-13-19)20(33-26)16-29-14-18-10-6-4-7-11-18/h4-13,20-22,24,26-27H,3,14-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+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