BDBM50030437 (2S,3S)-2-Benzhydryl-3-(3-trifluoromethyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane::CHEMBL367034

SMILES: FC(F)(F)c1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1

InChI Key: InChIKey=FWWHAAGOCFCRFY-SVBPBHIXSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50030437   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50030437 ((2S,3S)-2-Benzhydryl-3-(3-trifluoromethyl-benzylox...) Show SMILES FC(F)(F)c1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:18.20,11.10,(12.92,-3.55,;12.92,-2.01,;14.25,-1.24,;11.83,-3.1,;11.59,-1.24,;11.59,.31,;10.24,1.08,;8.91,.3,;8.94,-1.23,;7.59,-2,;7.59,-3.54,;6.26,-4.32,;4.93,-3.55,;3.6,-4.32,;3.6,-5.86,;4.93,-6.63,;5.7,-5.3,;4.21,-4.89,;6.26,-5.85,;7.59,-6.61,;8.94,-5.85,;10.27,-6.61,;11.59,-5.85,;11.59,-4.3,;10.24,-3.54,;8.94,-4.32,;7.61,-8.16,;6.28,-8.94,;6.28,-10.47,;7.61,-11.25,;8.94,-10.47,;8.94,-8.92,;10.25,-2,)| Show InChI InChI=1S/C28H28F3NO/c29-28(30,31)24-13-7-8-20(18-24)19-33-27-23-14-16-32(17-15-23)26(27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25-27H,14-17,19H2/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P.				J Med Chem 38: 934-41 (1995) BindingDB Entry DOI: 10.7270/Q2R78D8F
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50030437 ((2S,3S)-2-Benzhydryl-3-(3-trifluoromethyl-benzylox...) Show SMILES FC(F)(F)c1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:18.20,11.10,(12.92,-3.55,;12.92,-2.01,;14.25,-1.24,;11.83,-3.1,;11.59,-1.24,;11.59,.31,;10.24,1.08,;8.91,.3,;8.94,-1.23,;7.59,-2,;7.59,-3.54,;6.26,-4.32,;4.93,-3.55,;3.6,-4.32,;3.6,-5.86,;4.93,-6.63,;5.7,-5.3,;4.21,-4.89,;6.26,-5.85,;7.59,-6.61,;8.94,-5.85,;10.27,-6.61,;11.59,-5.85,;11.59,-4.3,;10.24,-3.54,;8.94,-4.32,;7.61,-8.16,;6.28,-8.94,;6.28,-10.47,;7.61,-11.25,;8.94,-10.47,;8.94,-8.92,;10.25,-2,)| Show InChI InChI=1S/C28H28F3NO/c29-28(30,31)24-13-7-8-20(18-24)19-33-27-23-14-16-32(17-15-23)26(27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25-27H,14-17,19H2/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against wild type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance...				J Med Chem 38: 934-41 (1995) BindingDB Entry DOI: 10.7270/Q2R78D8F
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50030437 ((2S,3S)-2-Benzhydryl-3-(3-trifluoromethyl-benzylox...) Show SMILES FC(F)(F)c1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:18.20,11.10,(12.92,-3.55,;12.92,-2.01,;14.25,-1.24,;11.83,-3.1,;11.59,-1.24,;11.59,.31,;10.24,1.08,;8.91,.3,;8.94,-1.23,;7.59,-2,;7.59,-3.54,;6.26,-4.32,;4.93,-3.55,;3.6,-4.32,;3.6,-5.86,;4.93,-6.63,;5.7,-5.3,;4.21,-4.89,;6.26,-5.85,;7.59,-6.61,;8.94,-5.85,;10.27,-6.61,;11.59,-5.85,;11.59,-4.3,;10.24,-3.54,;8.94,-4.32,;7.61,-8.16,;6.28,-8.94,;6.28,-10.47,;7.61,-11.25,;8.94,-10.47,;8.94,-8.92,;10.25,-2,)| Show InChI InChI=1S/C28H28F3NO/c29-28(30,31)24-13-7-8-20(18-24)19-33-27-23-14-16-32(17-15-23)26(27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25-27H,14-17,19H2/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against Gln165Ala mutant type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr...				J Med Chem 38: 934-41 (1995) BindingDB Entry DOI: 10.7270/Q2R78D8F
					More data for this Ligand-Target Pair