Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 632.1 BDBM233269

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))	BDBM233269 (US9346786, 73) Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1CCOC(C)(C)C1)C(=O)Oc1ccc(F)cc1 |r| Show InChI InChI=1S/C33H40ClF2N3O5/c1-4-39(32(42)44-25-8-6-24(35)7-9-25)29-20-38(19-26(29)22-5-10-27(34)28(36)17-22)30(40)21-11-14-37(15-12-21)31(41)23-13-16-43-33(2,3)18-23/h5-10,17,21,23,26,29H,4,11-16,18-20H2,1-3H3/t23?,26-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-45.2	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