Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM362854'   

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))	BDBM362854 ((R)-(3-chloro-4- fluorophenyl)(8-methyl-3-(2- (tri...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C17H12ClF4N5OS/c1-8-13-24-25-14(12-7-29-16(23-12)17(20,21)22)27(13)5-4-26(8)15(28)9-2-3-11(19)10(18)6-9/h2-3,6-8H,4-5H2,1H3/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.50E+3	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-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...				US Patent US9840508 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92P6
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