Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 576.0 BDBM233211

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))	BDBM233211 (US9346786, 15) Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1cc(ccn1)C#N)C(=O)Oc1ccc(F)cc1 |r| Show InChI InChI=1S/C31H31ClFN5O3/c1-2-38(31(40)41-26-9-7-25(33)8-10-26)28-20-37(19-27(28)22-3-5-24(32)6-4-22)30(39)23-12-15-36(16-13-23)29-17-21(18-34)11-14-35-29/h3-11,14,17,23,27-28H,2,12-13,15-16,19-20H2,1H3/t27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	-43.0	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