BDBM50064032 CHEMBL29161::N-(5-{(2R,3R,4S,5R,6R)-4,5-Bis-benzyloxy-3-hydroxy-6-[2-(1H-indol-3-yl)-ethoxy]-tetrahydro-pyran-2-ylmethoxy}-pentyl)-acetamide::N-(5-{4,5-Bis-benzyloxy-3-hydroxy-6-[2-(1H-indol-3-yl)-ethoxy]-tetrahydro-pyran-2-ylmethoxy}-pentyl)-acetamide

SMILES: CC(=O)NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O

InChI Key: InChIKey=DEPBKCRKZGIDPN-KHKVHWIZSA-N

Data: 1 KI  1 IC50

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 = 50064032   

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 1 receptor (Homo sapiens (Human))	BDBM50064032 (CHEMBL29161 | N-(5-{(2R,3R,4S,5R,6R)-4,5-Bis-benzy...) Show SMILES CC(=O)NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O Show InChI InChI=1S/C37H46N2O7/c1-27(40)38-20-11-4-12-21-42-26-33-34(41)35(44-24-28-13-5-2-6-14-28)36(45-25-29-15-7-3-8-16-29)37(46-33)43-22-19-30-23-39-32-18-10-9-17-31(30)32/h2-3,5-10,13-18,23,33-37,39,41H,4,11-12,19-22,24-26H2,1H3,(H,38,40)/t33-,34-,35+,36-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity of the compound against Tachykinin receptor 1				J Med Chem 46: 1858-69 (2003) Article DOI: 10.1021/jm0205088 BindingDB Entry DOI: 10.7270/Q2K936W8
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50064032 (CHEMBL29161 | N-(5-{(2R,3R,4S,5R,6R)-4,5-Bis-benzy...) Show SMILES CC(=O)NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O Show InChI InChI=1S/C37H46N2O7/c1-27(40)38-20-11-4-12-21-42-26-33-34(41)35(44-24-28-13-5-2-6-14-28)36(45-25-29-15-7-3-8-16-29)37(46-33)43-22-19-30-23-39-32-18-10-9-17-31(30)32/h2-3,5-10,13-18,23,33-37,39,41H,4,11-12,19-22,24-26H2,1H3,(H,38,40)/t33-,34-,35+,36-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity was measured for Tachykinin receptor 1				J Med Chem 41: 1382-91 (1998) Article DOI: 10.1021/jm9800346 BindingDB Entry DOI: 10.7270/Q28S4P2Q
					More data for this Ligand-Target Pair