Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50081204'   

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))	BDBM50081204 (CHEMBL3421996 | US10544150, Compound 3) Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1 Show InChI InChI=1S/C20H16ClN7O/c21-14-6-4-13(5-7-14)16-11-17(24-23-16)20(29)27-9-10-28-18(12-27)25-26-19(28)15-3-1-2-8-22-15/h1-8,11H,9-10,12H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59E+3	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))	BDBM50081204 (CHEMBL3421996 | US10544150, Compound 3) Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1 Show InChI InChI=1S/C20H16ClN7O/c21-14-6-4-13(5-7-14)16-11-17(24-23-16)20(29)27-9-10-28-18(12-27)25-26-19(28)15-3-1-2-8-22-15/h1-8,11H,9-10,12H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...				US Patent US10544150 (2020) BindingDB Entry DOI: 10.7270/Q2XW4N7G
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50081204 (CHEMBL3421996 | US10544150, Compound 3) Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1 Show InChI InChI=1S/C20H16ClN7O/c21-14-6-4-13(5-7-14)16-11-17(24-23-16)20(29)27-9-10-28-18(12-27)25-26-19(28)15-3-1-2-8-22-15/h1-8,11H,9-10,12H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	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