Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50220132   

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))	BDBM50220132 ((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C30H32F7N3O3/c1-17-10-23(31)4-5-24(17)25-15-40(27(42)20-6-8-39(9-7-20)18(2)41)16-26(25)28(43)38(3)14-19-11-21(29(32,33)34)13-22(12-19)30(35,36)37/h4-5,10-13,20,25-26H,6-9,14-16H2,1-3H3/t25-,26+/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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5310-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.028 BindingDB Entry DOI: 10.7270/Q2DR2V75
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50220132 ((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C30H32F7N3O3/c1-17-10-23(31)4-5-24(17)25-15-40(27(42)20-6-8-39(9-7-20)18(2)41)16-26(25)28(43)38(3)14-19-11-21(29(32,33)34)13-22(12-19)30(35,36)37/h4-5,10-13,20,25-26H,6-9,14-16H2,1-3H3/t25-,26+/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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serum				Bioorg Med Chem Lett 17: 5310-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.028 BindingDB Entry DOI: 10.7270/Q2DR2V75
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50220132 ((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C30H32F7N3O3/c1-17-10-23(31)4-5-24(17)25-15-40(27(42)20-6-8-39(9-7-20)18(2)41)16-26(25)28(43)38(3)14-19-11-21(29(32,33)34)13-22(12-19)30(35,36)37/h4-5,10-13,20,25-26H,6-9,14-16H2,1-3H3/t25-,26+/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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 17: 5310-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.028 BindingDB Entry DOI: 10.7270/Q2DR2V75
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50220132 ((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C30H32F7N3O3/c1-17-10-23(31)4-5-24(17)25-15-40(27(42)20-6-8-39(9-7-20)18(2)41)16-26(25)28(43)38(3)14-19-11-21(29(32,33)34)13-22(12-19)30(35,36)37/h4-5,10-13,20,25-26H,6-9,14-16H2,1-3H3/t25-,26+/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	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 17: 5310-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.028 BindingDB Entry DOI: 10.7270/Q2DR2V75
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50220132 ((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C30H32F7N3O3/c1-17-10-23(31)4-5-24(17)25-15-40(27(42)20-6-8-39(9-7-20)18(2)41)16-26(25)28(43)38(3)14-19-11-21(29(32,33)34)13-22(12-19)30(35,36)37/h4-5,10-13,20,25-26H,6-9,14-16H2,1-3H3/t25-,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 17: 5310-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.028 BindingDB Entry DOI: 10.7270/Q2DR2V75
					More data for this Ligand-Target Pair