Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 574.0 BDBM233285

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))	BDBM233285 (US9346786, 89) Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CC(F)C1)C(=O)Oc1ccc(F)cc1 |r,wU:7.8,wD:3.2,(5.35,-2.27,;4.95,-.78,;3.46,-.38,;3.06,1.1,;1.6,1.58,;1.6,3.12,;3.06,3.6,;3.97,2.35,;5.45,2.75,;5.85,4.24,;7.34,4.63,;8.43,3.55,;9.92,3.94,;8.03,2.06,;6.54,1.66,;.26,3.89,;.26,5.43,;-1.07,3.12,;-2.4,3.89,;-3.74,3.12,;-3.74,1.58,;-2.4,.81,;-1.07,1.58,;-5.07,.81,;-5.07,-.73,;-6.41,1.58,;-7.49,.49,;-8.58,1.58,;-9.92,2.35,;-7.49,2.67,;2.37,-1.47,;2.77,-2.96,;.88,-1.07,;-.21,-2.16,;-1.69,-1.76,;-2.78,-2.85,;-2.38,-4.34,;-3.47,-5.43,;-.9,-4.74,;.19,-3.65,)| Show InChI InChI=1S/C30H34ClF2N3O4/c1-2-36(30(39)40-25-9-7-23(32)8-10-25)27-18-35(17-26(27)19-3-5-22(31)6-4-19)28(37)20-11-13-34(14-12-20)29(38)21-15-24(33)16-21/h3-10,20-21,24,26-27H,2,11-18H2,1H3/t21?,24?,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.30	-45.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Hoffmann-La Roche Inc. US Patent					Assay Description hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK ...				US Patent US9346786 (2016) BindingDB Entry DOI: 10.7270/Q20V8BPC
					More data for this Ligand-Target Pair