Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 486.5 BDBM430680

Wt: 486.5 BDBM430733

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

Found 2 hits 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))	BDBM430733 ((R)-[1,1'-biphenyl]-4-yl(8-methyl-3-(2-morpholinot...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)N1CCOCC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H26N6O2S/c1-18-23-28-29-24(22-17-35-26(27-22)30-13-15-34-16-14-30)32(23)12-11-31(18)25(33)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,17-18H,11-16H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<500	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
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM430680 (US10544150, Compound 46 | [1,1'-biphenyl]-4-yl(8-m...) Show SMILES CC1N(CCn2c1nnc2-c1csc(n1)N1CCOCC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H26N6O2S/c1-18-23-28-29-24(22-17-35-26(27-22)30-13-15-34-16-14-30)32(23)12-11-31(18)25(33)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,17-18H,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<500	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
					More data for this Ligand-Target Pair