Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM362845'   

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))	BDBM362845 ((R)-(8-methyl-3-(5- methylfuran-2-yl)-5,6-dihydro-...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccc(C)o1)C(=O)c1cc(F)c(F)c(F)c1 |r| Show InChI InChI=1S/C18H15F3N4O2/c1-9-3-4-14(27-9)17-23-22-16-10(2)24(5-6-25(16)17)18(26)11-7-12(19)15(21)13(20)8-11/h3-4,7-8,10H,5-6H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
OGED SA US Patent					Assay Description The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...				US Patent US9840508 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92P6
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