Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 593.0 BDBM233204

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))	BDBM233204 (US9346786, 8) Show SMILES CCN([C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(C)=O)C(=O)Oc1ccc(F)cc1 |r| Show InChI InChI=1S/C32H34ClFN4O4/c1-3-38(32(41)42-27-11-9-26(34)10-12-27)29-20-37(19-28(29)22-4-7-25(33)8-5-22)31(40)23-14-16-36(17-15-23)30-13-6-24(18-35-30)21(2)39/h4-13,18,23,28-29H,3,14-17,19-20H2,1-2H3/t28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	55	-38.5	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