BindingDB PrimarySearch

BDBM50049468 (2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidine::(2S,3S)-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylpiperidine::3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidine::CHEMBL27006::L-733060

SMILES: FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=FCDRFVCGMLUYPG-ROUUACIJSA-N

Data: 12 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50049468
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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells				J Med Chem 39: 1760-2 (1996) Article DOI: 10.1021/jm950654w BindingDB Entry DOI: 10.7270/Q2GB2346
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in...				J Med Chem 41: 4623-35 (1998) Article DOI: 10.1021/jm980376b BindingDB Entry DOI: 10.7270/Q2T43S77
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells				Bioorg Med Chem Lett 8: 1845-50 (1999) BindingDB Entry DOI: 10.7270/Q2F76BQW
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells				Bioorg Med Chem Lett 5: 1345-1350 (1995) Article DOI: 10.1016/0960-894X(95)00220-N BindingDB Entry DOI: 10.7270/Q2416X13
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the displacement of [ 1251] Substance P from hNK1 receptor in CHO cells				Bioorg Med Chem Lett 4: 2545-2550 (1994) Article DOI: 10.1016/S0960-894X(01)80280-8 BindingDB Entry DOI: 10.7270/Q2KH0N8H
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.				J Med Chem 41: 3609-23 (1998) Article DOI: 10.1021/jm9700171 BindingDB Entry DOI: 10.7270/Q2V1260Z
Washington University Curated by ChEMBL					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of human Neurokinin Tachykinin receptor 2.				Bioorg Med Chem Lett 5: 209-212 (1995) Article DOI: 10.1016/0960-894X(95)00009-I BindingDB Entry DOI: 10.7270/Q2ZP463J
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of human Tachykinin receptor 3				Bioorg Med Chem Lett 5: 209-212 (1995) Article DOI: 10.1016/0960-894X(95)00009-I BindingDB Entry DOI: 10.7270/Q2ZP463J
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells				Bioorg Med Chem Lett 5: 209-212 (1995) Article DOI: 10.1016/0960-894X(95)00009-I BindingDB Entry DOI: 10.7270/Q2ZP463J
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Rattus norvegicus (rat))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of NK1 receptor in rat liver microsomes.				Bioorg Med Chem Lett 7: 2959-2962 (1997) Article DOI: 10.1016/S0960-894X(97)10118-4 BindingDB Entry DOI: 10.7270/Q2W66KRX
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at NK1 receptor (unknown origin)				Bioorg Med Chem 21: 6264-73 (2013) Article DOI: 10.1016/j.bmc.2013.09.001 BindingDB Entry DOI: 10.7270/Q2D79CWC
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50049468 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound for human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 4: 2733-2734 (1994) Article DOI: 10.1016/S0960-894X(01)80585-0 BindingDB Entry DOI: 10.7270/Q2T153K5
TBA Curated by ChEMBL					More data for this Ligand-Target Pair