Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM242749'   

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-P receptor (Homo sapiens (Human))	BDBM242749 (US10030025, Compound 13 | US10836768, Cpd no 13 | ...) Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...				US Patent US9422299 (2016) BindingDB Entry DOI: 10.7270/Q2GM866C
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM242749 (US10030025, Compound 13 | US10836768, Cpd no 13 | ...) Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...				US Patent US10030025 (2018) BindingDB Entry DOI: 10.7270/Q2B56MSG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM242749 (US10030025, Compound 13 | US10836768, Cpd no 13 | ...) Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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-P receptor (Homo sapiens (Human))	BDBM242749 (US10030025, Compound 13 | US10836768, Cpd no 13 | ...) Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...				US Patent US10836768 (2020) BindingDB Entry DOI: 10.7270/Q2Z03C74
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM242749 (US10030025, Compound 13 | US10836768, Cpd no 13 | ...) Show SMILES CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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-1: The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 rece...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2SN0C9W
					More data for this Ligand-Target Pair