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Enter Data

null

SMILES: C[C@@H](O[C@H]1CN2[C@@H](C(O)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=FLJZRDCJNZDTST-XIJQPKCWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50313632
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Substance-P receptor (Homo sapiens (Human))	BDBM50313632 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES Show InChI	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	0.0800	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313632 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES Show InChI	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	2.70	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313632 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES Show InChI	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	2.10	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50313632 ((6R,7S,7aR)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES Show InChI	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	0.0700	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair