Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM100787'   

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))	BDBM100787 (US8507535, 26) Show SMILES COc1ccc(nn1)N1CCC(CC1)C(=O)N1C[C@H](c2ccc(Cl)cc2)[C@@](C)(COc2ccc(Cl)cn2)C1 |r| Show InChI InChI=1S/C28H31Cl2N5O3/c1-28(18-38-25-9-7-22(30)15-31-25)17-35(16-23(28)19-3-5-21(29)6-4-19)27(36)20-11-13-34(14-12-20)24-8-10-26(37-2)33-32-24/h3-10,15,20,23H,11-14,16-18H2,1-2H3/t23-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.4	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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