Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50421572'   

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))	BDBM50421572 (CHEMBL110086) Show SMILES CC(C)c1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C24H28F6N2O/c1-16(2)18-4-3-5-19(12-18)22(32-8-6-31-7-9-32)15-33-14-17-10-20(23(25,26)27)13-21(11-17)24(28,29)30/h3-5,10-13,16,22,31H,6-9,14-15H2,1-2H3	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	40	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand				Bioorg Med Chem Lett 12: 3195-8 (2002) BindingDB Entry DOI: 10.7270/Q2KW5HBF
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