Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50355375'   

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))	BDBM50355375 (CHEMBL1835844) Show SMILES FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C44H44F6N4O4/c45-43(46,47)33-24-31(25-34(27-33)44(48,49)50)29-58-42(57)39(26-32-28-51-38-15-8-7-14-37(32)38)52-40(55)16-9-17-41(56)54(35-12-5-2-6-13-35)36-19-22-53(23-20-36)21-18-30-10-3-1-4-11-30/h1-8,10-15,24-25,27-28,36,39,51H,9,16-23,26,29H2,(H,52,55)/t39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting				Bioorg Med Chem 19: 6135-42 (2011) Article DOI: 10.1016/j.bmc.2011.08.027 BindingDB Entry DOI: 10.7270/Q2B56K4J
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