Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50033816'   

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))	BDBM50033816 (3-(3,5-Difluoro-benzyl)-5-(1H-indol-3-ylmethyl)-ox...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H14F2N2O3/c20-13-5-11(6-14(21)8-13)10-23-18(24)17(26-19(23)25)7-12-9-22-16-4-2-1-3-15(12)16/h1-6,8-9,22,24H,7,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
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