Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM242756'   

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
Substance-K receptor (Homo sapiens (Human))	BDBM242756 (US10030025, Compound 21 | US10836768, Cpd no 21 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H15F3N6OS/c1-9-13-22-23-14(15-21-10(2)24-28-15)26(13)8-7-25(9)16(27)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-25.8	n/a	n/a	n/a	n/a	n/a	7.4	25
EUROSCREEN SA US Patent					Assay Description The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...				US Patent US9422299 (2016) BindingDB Entry DOI: 10.7270/Q2GM866C
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM242756 (US10030025, Compound 21 | US10836768, Cpd no 21 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H15F3N6OS/c1-9-13-22-23-14(15-21-10(2)24-28-15)26(13)8-7-25(9)16(27)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-25.8	n/a	n/a	n/a	n/a	n/a	7.4	25
OGEDA SA US Patent					Assay Description The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...				US Patent US10030025 (2018) BindingDB Entry DOI: 10.7270/Q2B56MSG
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM242756 (US10030025, Compound 21 | US10836768, Cpd no 21 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H15F3N6OS/c1-9-13-22-23-14(15-21-10(2)24-28-15)26(13)8-7-25(9)16(27)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>3.00E+4	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
Substance-K receptor (Homo sapiens (Human))	BDBM242756 (US10030025, Compound 21 | US10836768, Cpd no 21 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H15F3N6OS/c1-9-13-22-23-14(15-21-10(2)24-28-15)26(13)8-7-25(9)16(27)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	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 NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...				US Patent US10836768 (2020) BindingDB Entry DOI: 10.7270/Q2Z03C74
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM242756 (US10030025, Compound 21 | US10836768, Cpd no 21 | ...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H15F3N6OS/c1-9-13-22-23-14(15-21-10(2)24-28-15)26(13)8-7-25(9)16(27)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description Human NK-2 The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 recep...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2SN0C9W
					More data for this Ligand-Target Pair