Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50213834'   

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))	BDBM50213834 (CHEMBL542044) Show SMILES Cl.Cl.CCCc1nnnn1-c1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1 |r| Show InChI InChI=1S/C23H30N6O.2ClH/c1-3-8-22-26-27-28-29(22)19-12-13-21(30-2)18(15-19)16-25-20-11-7-14-24-23(20)17-9-5-4-6-10-17;;/h4-6,9-10,12-13,15,20,23-25H,3,7-8,11,14,16H2,1-2H3;2*1H/t20-,23-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]-substance P binding to human NK1 receptor expressed in chinese hamster ovary cells				Citation and Details BindingDB Entry DOI: 10.7270/Q2BR8VB5
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