Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50313626'   

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))	BDBM50313626 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-31-17(9-18(32)21(31)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20,32H,9-10H2,1H3/t11-,17+,18?,19+,20+/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	0.140	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))	BDBM50313626 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-31-17(9-18(32)21(31)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20,32H,9-10H2,1H3/t11-,17+,18?,19+,20+/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	0.140	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))	BDBM50313626 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-31-17(9-18(32)21(31)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20,32H,9-10H2,1H3/t11-,17+,18?,19+,20+/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	5.60	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
Substance-P receptor (Homo sapiens (Human))	BDBM50313626 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H20F7NO3/c1-11(13-6-14(22(25,26)27)8-15(7-13)23(28,29)30)34-19-10-31-17(9-18(32)21(31)33)20(19)12-2-4-16(24)5-3-12/h2-8,11,17-20,32H,9-10H2,1H3/t11-,17+,18?,19+,20+/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	5.60	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