Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50049323'   

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))	BDBM50049323 (CHEMBL351253 | N-[1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(=CC1)c1ccccc1)C(C)=O |c:32| Show InChI InChI=1S/C34H38N4O3/c1-25(39)38(22-28-12-6-9-15-33(28)41-2)23-30(20-29-21-35-32-14-8-7-13-31(29)32)36-34(40)24-37-18-16-27(17-19-37)26-10-4-3-5-11-26/h3-16,21,30,35H,17-20,22-24H2,1-2H3,(H,36,40)	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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
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