Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 335.3 BDBM50081236

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))	BDBM50081236 (CHEMBL3421984) Show SMILES COc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1 Show InChI InChI=1S/C18H17N5O2/c1-25-14-7-5-13(6-8-14)18(24)22-10-11-23-16(12-22)20-21-17(23)15-4-2-3-9-19-15/h2-9H,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50081236 (CHEMBL3421984) Show SMILES COc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1 Show InChI InChI=1S/C18H17N5O2/c1-25-14-7-5-13(6-8-14)18(24)22-10-11-23-16(12-22)20-21-17(23)15-4-2-3-9-19-15/h2-9H,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ biolumines...				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair