Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50421556'   

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))	BDBM50421556 (CHEMBL109183) Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H20Cl2F6N2O/c22-17-2-1-14(9-18(17)23)19(31-5-3-30-4-6-31)12-32-11-13-7-15(20(24,25)26)10-16(8-13)21(27,28)29/h1-2,7-10,19,30H,3-6,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 13: 437-42 (2003) Checked by Author BindingDB Entry DOI: 10.7270/Q2MC91J0
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50421556 (CHEMBL109183) Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H20Cl2F6N2O/c22-17-2-1-14(9-18(17)23)19(31-5-3-30-4-6-31)12-32-11-13-7-15(20(24,25)26)10-16(8-13)21(27,28)29/h1-2,7-10,19,30H,3-6,11-12H2	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	5	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
					More data for this Ligand-Target Pair