BDBM50120177 2-[Bis-(4-benzyl-piperazin-1-yl)-amino]-1-[4-(3,5-bis-trifluoromethyl-benzyl)-2-phenyl-piperazin-1-yl]-ethanone::CHEMBL320771

SMILES: FC(F)(F)c1cc(CN2CCN(C(C2)c2ccccc2)C(=O)CN(N2CCN(Cc3ccccc3)CC2)N2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F

InChI Key: InChIKey=XGWVIOHVJIXJHZ-UHFFFAOYSA-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 = 50120177   

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))	BDBM50120177 (2-[Bis-(4-benzyl-piperazin-1-yl)-amino]-1-[4-(3,5-...) Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccccc2)C(=O)CN(N2CCN(Cc3ccccc3)CC2)N2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C43H49F6N7O/c44-42(45,46)38-26-36(27-39(28-38)43(47,48)49)31-52-20-25-55(40(32-52)37-14-8-3-9-15-37)41(57)33-56(53-21-16-50(17-22-53)29-34-10-4-1-5-11-34)54-23-18-51(19-24-54)30-35-12-6-2-7-13-35/h1-15,26-28,40H,16-25,29-33H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	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 Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50120177 (2-[Bis-(4-benzyl-piperazin-1-yl)-amino]-1-[4-(3,5-...) Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccccc2)C(=O)CN(N2CCN(Cc3ccccc3)CC2)N2CCN(Cc3ccccc3)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C43H49F6N7O/c44-42(45,46)38-26-36(27-39(28-38)43(47,48)49)31-52-20-25-55(40(32-52)37-14-8-3-9-15-37)41(57)33-56(53-21-16-50(17-22-53)29-34-10-4-1-5-11-34)54-23-18-51(19-24-54)30-35-12-6-2-7-13-35/h1-15,26-28,40H,16-25,29-33H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	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 Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.				Bioorg Med Chem Lett 12: 3161-5 (2002) BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
					More data for this Ligand-Target Pair