Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM242768'   

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))	BDBM242768 (US10030025, Compound 34 | US10836768, Cpd no 34 | ...) Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C16H13F3N6OS/c1-7-13-21-22-14(15-20-8(2)23-27-15)25(13)4-3-24(7)16(26)9-5-10(17)12(19)11(18)6-9/h5-7H,3-4H2,1-2H3	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))	BDBM242768 (US10030025, Compound 34 | US10836768, Cpd no 34 | ...) Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C16H13F3N6OS/c1-7-13-21-22-14(15-20-8(2)23-27-15)25(13)4-3-24(7)16(26)9-5-10(17)12(19)11(18)6-9/h5-7H,3-4H2,1-2H3	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))	BDBM242768 (US10030025, Compound 34 | US10836768, Cpd no 34 | ...) Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C16H13F3N6OS/c1-7-13-21-22-14(15-20-8(2)23-27-15)25(13)4-3-24(7)16(26)9-5-10(17)12(19)11(18)6-9/h5-7H,3-4H2,1-2H3	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))	BDBM242768 (US10030025, Compound 34 | US10836768, Cpd no 34 | ...) Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C16H13F3N6OS/c1-7-13-21-22-14(15-20-8(2)23-27-15)25(13)4-3-24(7)16(26)9-5-10(17)12(19)11(18)6-9/h5-7H,3-4H2,1-2H3	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))	BDBM242768 (US10030025, Compound 34 | US10836768, Cpd no 34 | ...) Show SMILES CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C16H13F3N6OS/c1-7-13-21-22-14(15-20-8(2)23-27-15)25(13)4-3-24(7)16(26)9-5-10(17)12(19)11(18)6-9/h5-7H,3-4H2,1-2H3	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