Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM242777'   

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))	BDBM242777 (US10030025, Compound 44 | US10836768, Cpd no 44 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(CC(F)(F)F)no1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description Human NK-3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2SN0C9W
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242777 (US10030025, Compound 44 | US10836768, Cpd no 44 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(CC(F)(F)F)no1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2348QHC
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242777 (US10030025, Compound 44 | US10836768, Cpd no 44 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(CC(F)(F)F)no1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...				US Patent US10836768 (2020) BindingDB Entry DOI: 10.7270/Q2Z03C74
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242777 (US10030025, Compound 44 | US10836768, Cpd no 44 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(CC(F)(F)F)no1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	45	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
EUROSCREEN SA US Patent					Assay Description The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...				US Patent US9422299 (2016) BindingDB Entry DOI: 10.7270/Q2GM866C
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242777 (US10030025, Compound 44 | US10836768, Cpd no 44 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(CC(F)(F)F)no1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	45	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
OGEDA SA US Patent					Assay Description The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...				US Patent US10030025 (2018) BindingDB Entry DOI: 10.7270/Q2B56MSG
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242777 (US10030025, Compound 44 | US10836768, Cpd no 44 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(CC(F)(F)F)no1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2348QHC
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242777 (US10030025, Compound 44 | US10836768, Cpd no 44 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(CC(F)(F)F)no1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
OGEDA SA US Patent					Assay Description Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...				US Patent US10030025 (2018) BindingDB Entry DOI: 10.7270/Q2B56MSG
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242777 (US10030025, Compound 44 | US10836768, Cpd no 44 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(CC(F)(F)F)no1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...				US Patent US10836768 (2020) BindingDB Entry DOI: 10.7270/Q2Z03C74
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM242777 (US10030025, Compound 44 | US10836768, Cpd no 44 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(CC(F)(F)F)no1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
EUROSCREEN SA US Patent					Assay Description Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for th...				US Patent US9422299 (2016) BindingDB Entry DOI: 10.7270/Q2GM866C
					More data for this Ligand-Target Pair