BDBM50093119 1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-{4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-piperazin-1-yl}-pentan-2-one O-methyl-oxime::CHEMBL312295

SMILES: CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCc3ccccc3C2)CC1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=KLFRSZNXCXNAGN-YTRKXGHFSA-N

Data: 2 KI

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 2 hits for monomerid = 50093119   

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))	BDBM50093119 (1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...) Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCc3ccccc3C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H38Cl2F6N4O3/c1-50-45-33(23-51-22-24-16-28(35(39,40)41)19-29(17-24)36(42,43)44)30(26-6-7-31(37)32(38)18-26)9-10-46-12-14-47(15-13-46)21-34(49)48-11-8-25-4-2-3-5-27(25)20-48/h2-7,16-19,30H,8-15,20-23H2,1H3/b45-33+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human tachykinin receptor 1				Bioorg Med Chem Lett 10: 2333-5 (2001) BindingDB Entry DOI: 10.7270/Q2X63M6B
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50093119 (1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...) Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N2CCc3ccccc3C2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H38Cl2F6N4O3/c1-50-45-33(23-51-22-24-16-28(35(39,40)41)19-29(17-24)36(42,43)44)30(26-6-7-31(37)32(38)18-26)9-10-46-12-14-47(15-13-46)21-34(49)48-11-8-25-4-2-3-5-27(25)20-48/h2-7,16-19,30H,8-15,20-23H2,1H3/b45-33+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	566	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human tachykinin receptor 2				Bioorg Med Chem Lett 10: 2333-5 (2001) BindingDB Entry DOI: 10.7270/Q2X63M6B
					More data for this Ligand-Target Pair