Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 482.6 BDBM50050680

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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))	BDBM50050680 (CHEMBL47641 | [(R)-1-(8-Hydroxy-octylcarbamoyl)-1-...) Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 Show InChI InChI=1S/C29H42N2O4/c1-23(2)26(25-18-12-9-13-19-25)35-28(34)31-29(3,22-24-16-10-8-11-17-24)27(33)30-20-14-6-4-5-7-15-21-32/h8-13,16-19,23,26,32H,4-7,14-15,20-22H2,1-3H3,(H,30,33)(H,31,34)/t26-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Cambridge University Forvie Site Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines				J Med Chem 39: 1664-75 (1996) Article DOI: 10.1021/jm950892r BindingDB Entry DOI: 10.7270/Q2CJ8F4R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50050680 (CHEMBL47641 | [(R)-1-(8-Hydroxy-octylcarbamoyl)-1-...) Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 Show InChI InChI=1S/C29H42N2O4/c1-23(2)26(25-18-12-9-13-19-25)35-28(34)31-29(3,22-24-16-10-8-11-17-24)27(33)30-20-14-6-4-5-7-15-21-32/h8-13,16-19,23,26,32H,4-7,14-15,20-22H2,1-3H3,(H,30,33)(H,31,34)/t26-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand				Bioorg Med Chem Lett 5: 1773-1778 (1995) Article DOI: 10.1016/0960-894X(95)00313-I BindingDB Entry DOI: 10.7270/Q2QF8TCH
					More data for this Ligand-Target Pair