Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50030606'   

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))	BDBM50030606 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES CN(Cc1cc(C)cc(C)c1)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C |(9.78,-12.9,;9.78,-14.44,;11.11,-15.22,;12.44,-14.45,;13.77,-15.24,;15.1,-14.47,;16.43,-15.24,;15.12,-12.93,;13.77,-12.16,;13.77,-10.62,;12.44,-12.93,;8.43,-15.2,;8.43,-16.74,;7.12,-14.43,;5.77,-15.19,;5.76,-16.71,;7.09,-17.5,;7.08,-19.02,;5.75,-19.79,;4.42,-19.02,;4.42,-17.48,;3.09,-16.71,;4.44,-14.42,;3.13,-15.17,;1.8,-14.42,;1.8,-12.88,;3.13,-12.09,;4.44,-12.88,;5.79,-12.11,;5.79,-10.57,;7.12,-12.89,;8.45,-12.12,)| Show InChI InChI=1S/C28H28N2O2/c1-18-14-19(2)16-21(15-18)17-29(4)28(32)26-25(22-11-7-6-10-20(22)3)23-12-8-9-13-24(23)27(31)30(26)5/h6-16H,17H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair