BDBM50313628 (6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(4-fluorophenyl)-2-hydroxy-2-methyltetrahydro-1H-pyrrolizin-3(2H)-one::CHEMBL1091469

SMILES: C[C@@H](O[C@H]1CN2[C@@H](CC(C)(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=GDTPPOVBSGSQJY-HEYNYXLNSA-N

Data: 4 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 4 hits for monomerid = 50313628   

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))	BDBM50313628 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C)(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-19-11-32-18(10-22(2,34)21(32)33)20(19)13-3-5-17(25)6-4-13/h3-9,12,18-20,34H,10-11H2,1-2H3/t12-,18+,19+,20+,22?/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	0.0900	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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50313628 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C)(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-19-11-32-18(10-22(2,34)21(32)33)20(19)13-3-5-17(25)6-4-13/h3-9,12,18-20,34H,10-11H2,1-2H3/t12-,18+,19+,20+,22?/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	0.800	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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50313628 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C)(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-19-11-32-18(10-22(2,34)21(32)33)20(19)13-3-5-17(25)6-4-13/h3-9,12,18-20,34H,10-11H2,1-2H3/t12-,18+,19+,20+,22?/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	2.5	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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50313628 ((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...) Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CC(C)(O)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7NO3/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-19-11-32-18(10-22(2,34)21(32)33)20(19)13-3-5-17(25)6-4-13/h3-9,12,18-20,34H,10-11H2,1-2H3/t12-,18+,19+,20+,22?/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	0.0400	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