Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50051573'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-P receptor (Homo sapiens (Human))	BDBM50051573 (CHEMBL420221 | N-(5-{(2R,3R,4S,5R,6R)-3,4,5-Tris-b...) Show SMILES CC(=O)NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 Show InChI InChI=1S/C44H52N2O7/c1-33(47)45-25-14-5-15-26-48-32-40-41(50-29-34-16-6-2-7-17-34)42(51-30-35-18-8-3-9-19-35)43(52-31-36-20-10-4-11-21-36)44(53-40)49-27-24-37-28-46-39-23-13-12-22-38(37)39/h2-4,6-13,16-23,28,40-44,46H,5,14-15,24-27,29-32H2,1H3,(H,45,47)/t40-,41-,42+,43-,44-/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	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1				J Med Chem 39: 2441-8 (1996) Article DOI: 10.1021/jm960281e BindingDB Entry DOI: 10.7270/Q2P84CJT
					More data for this Ligand-Target Pair