BDBM50093115 2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-piperazin-1-yl)-N-cyclohexyl-N-methyl-acetamide::CHEMBL77752

SMILES: CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=JBKANADLNPFWIK-XVDWRUNBSA-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 = 50093115   

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))	BDBM50093115 (2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...) Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H42Cl2F6N4O3/c1-44(27-6-4-3-5-7-27)32(47)20-46-14-12-45(13-15-46)11-10-28(24-8-9-29(35)30(36)18-24)31(43-48-2)22-49-21-23-16-25(33(37,38)39)19-26(17-23)34(40,41)42/h8-9,16-19,27-28H,3-7,10-15,20-22H2,1-2H3/b43-31+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	113	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))	BDBM50093115 (2-(4-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4...) Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H42Cl2F6N4O3/c1-44(27-6-4-3-5-7-27)32(47)20-46-14-12-45(13-15-46)11-10-28(24-8-9-29(35)30(36)18-24)31(43-48-2)22-49-21-23-16-25(33(37,38)39)19-26(17-23)34(40,41)42/h8-9,16-19,27-28H,3-7,10-15,20-22H2,1-2H3/b43-31+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	368	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