Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50030438'   

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))	BDBM50030438 (CHEMBL426577 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...) Show SMILES FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC2CCNCC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H31F6N3O2/c30-28(31,32)21-13-19(14-22(16-21)29(33,34)35)5-7-26(39)25(15-20-17-37-24-4-2-1-3-23(20)24)38-27(40)8-6-18-9-11-36-12-10-18/h1-4,13-14,16-18,25,36-37H,5-12,15H2,(H,38,40)/t25-/m0/s1	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	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P.				J Med Chem 38: 934-41 (1995) BindingDB Entry DOI: 10.7270/Q2R78D8F
					More data for this Ligand-Target Pair