Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50020111'   

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))	BDBM50020111 (CHEMBL3288164) Show SMILES OC(=O)C(F)(F)F.CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.C2HF3O2/c1-34(24-9-11-27(36)28(37)21-24,32(45)41-30(31(44)40-17-16-39)23-7-4-3-5-8-23)13-6-18-43-19-14-35(15-20-43)26-22-25(38)10-12-29(26)42(2)33(46)47-35;3-2(4,5)1(6)7/h3-5,7-12,21-22,30H,6,13-20,39H2,1-2H3,(H,40,44)(H,41,45);(H,6,7)/t30-,34+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
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