Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM100781'   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM100781 (US8507535, 20) Show SMILES C[C@]1(COc2ccc(Cl)cn2)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C28H29Cl3N4O2/c1-28(18-37-26-9-7-23(31)15-33-26)17-35(16-24(28)19-2-4-21(29)5-3-19)27(36)20-10-12-34(13-11-20)25-8-6-22(30)14-32-25/h2-9,14-15,20,24H,10-13,16-18H2,1H3/t24-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	19.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Competition binding assay using hNK3 receptor.				US Patent US8507535 (2013) BindingDB Entry DOI: 10.7270/Q27H1H67
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