Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 604.5 BDBM233198

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))	BDBM233198 (US9346786, 2) Show SMILES CC(C)N([C@@H]1CN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)C1(C)CC1)C(=O)Oc1ccc(F)cc1 |r| Show InChI InChI=1S/C31H36Cl2FN3O4/c1-19(2)37(30(40)41-23-7-5-22(34)6-8-23)27-18-36(17-24(27)21-4-9-25(32)26(33)16-21)28(38)20-10-14-35(15-11-20)29(39)31(3)12-13-31/h4-9,16,19-20,24,27H,10-15,17-18H2,1-3H3/t24-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	-38.9	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