Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 503.5 BDBM430818

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM430818 ((4-fluorophenyl)(3-(2-(4-(4-methylpiperazin-1-yl)p...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C26H26FN7OS/c1-31-10-12-32(13-11-31)21-8-4-18(5-9-21)25-28-22(17-36-25)24-30-29-23-16-33(14-15-34(23)24)26(35)19-2-6-20(27)7-3-19/h2-9,17H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...				US Patent US10544150 (2020) BindingDB Entry DOI: 10.7270/Q2XW4N7G
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