Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50099630'   

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-K receptor (Homo sapiens (Human))	BDBM50099630 (2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carbox...) Show SMILES CC[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H32N4O/c1-2-26(22-11-5-3-6-12-22)33-30(35)28-24-15-9-10-16-27(24)32-29(23-13-7-4-8-14-23)25(28)21-34-19-17-31-18-20-34/h3-16,26,31H,2,17-21H2,1H3,(H,33,35)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	22.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes				J Med Chem 44: 1675-89 (2001) BindingDB Entry DOI: 10.7270/Q29C6WQN
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