Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50313623'   

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))	BDBM50313623 ((6R,7S,7aR)-1-((1H-pyrazol-5-yl)methylamino)-6-((R...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(CC2=O)NCc2ccn[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H25F7N4O2/c1-14(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)40-22-13-38-23(39)11-21(35-12-20-6-7-36-37-20)25(38)24(22)15-2-4-19(28)5-3-15/h2-10,14,21-22,24-25,35H,11-13H2,1H3,(H,36,37)/t14-,21?,22+,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313623 ((6R,7S,7aR)-1-((1H-pyrazol-5-yl)methylamino)-6-((R...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](C(CC2=O)NCc2ccn[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H25F7N4O2/c1-14(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)40-22-13-38-23(39)11-21(35-12-20-6-7-36-37-20)25(38)24(22)15-2-4-19(28)5-3-15/h2-10,14,21-22,24-25,35H,11-13H2,1H3,(H,36,37)/t14-,21?,22+,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum				Bioorg Med Chem Lett 20: 2007-12 (2010) Article DOI: 10.1016/j.bmcl.2010.01.065 BindingDB Entry DOI: 10.7270/Q23X86SP
					More data for this Ligand-Target Pair