Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50277571'   

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))	BDBM50277571 (3-[(4R,5S)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=C(C)C(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:22| Show InChI InChI=1S/C30H30F7NO2/c1-16-25(8-9-26(16)39)38-14-19-5-10-27(28(24(19)15-38)18-3-6-23(31)7-4-18)40-17(2)20-11-21(29(32,33)34)13-22(12-20)30(35,36)37/h3-4,6-7,11-13,17,19,24,27-28H,5,8-10,14-15H2,1-2H3/t17-,19-,24-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	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 human recombinant NK1 receptor expressed in CHO cells in absence of human serum albumin				J Med Chem 52: 3039-46 (2009) Article DOI: 10.1021/jm8016514 BindingDB Entry DOI: 10.7270/Q2FX79BT
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50277571 (3-[(4R,5S)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=C(C)C(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:22| Show InChI InChI=1S/C30H30F7NO2/c1-16-25(8-9-26(16)39)38-14-19-5-10-27(28(24(19)15-38)18-3-6-23(31)7-4-18)40-17(2)20-11-21(29(32,33)34)13-22(12-20)30(35,36)37/h3-4,6-7,11-13,17,19,24,27-28H,5,8-10,14-15H2,1-2H3/t17-,19-,24-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	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 human recombinant NK1 receptor expressed in CHO cells in presence of human serum albumin				J Med Chem 52: 3039-46 (2009) Article DOI: 10.1021/jm8016514 BindingDB Entry DOI: 10.7270/Q2FX79BT
					More data for this Ligand-Target Pair