BDBM50093101 2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-piperazin-1-yl)-N-(3-ethoxy-propyl)-acetamide::CHEMBL76727

SMILES: CCOCCCNC(=O)CN1CCN(CCC(\C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=N\OC)c2ccc(Cl)c(Cl)c2)CC1

InChI Key: InChIKey=PDGGHHMVDHHHGY-JSKGAOECSA-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 = 50093101   

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))	BDBM50093101 (2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...) Show SMILES CCOCCCNC(=O)CN1CCN(CCC(\C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=N\OC)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C32H40Cl2F6N4O4/c1-3-47-14-4-8-41-30(45)19-44-12-10-43(11-13-44)9-7-26(23-5-6-27(33)28(34)17-23)29(42-46-2)21-48-20-22-15-24(31(35,36)37)18-25(16-22)32(38,39)40/h5-6,15-18,26H,3-4,7-14,19-21H2,1-2H3,(H,41,45)/b42-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	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))	BDBM50093101 (2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...) Show SMILES CCOCCCNC(=O)CN1CCN(CCC(\C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=N\OC)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C32H40Cl2F6N4O4/c1-3-47-14-4-8-41-30(45)19-44-12-10-43(11-13-44)9-7-26(23-5-6-27(33)28(34)17-23)29(42-46-2)21-48-20-22-15-24(31(35,36)37)18-25(16-22)32(38,39)40/h5-6,15-18,26H,3-4,7-14,19-21H2,1-2H3,(H,41,45)/b42-29+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	382	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