BDBM50070546 1-(2-{(S)-3-(3,4-Dichloro-phenyl)-1-[2-(3-isopropoxy-phenyl)-acetyl]-piperidin-3-yl}-ethyl)-4-phenyl-1-azonia-bicyclo[2.2.2]octane; chloride::CHEMBL38763::SR 140333

SMILES: CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]34CCC(CC3)(CC4)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1

InChI Key: InChIKey=RPDFDSQFBCJTDY-GAQXSTBRSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50070546   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50070546 (1-(2-{(S)-3-(3,4-Dichloro-phenyl)-1-[2-(3-isopropo...) Show SMILES CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]34CCC(CC3)(CC4)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Recherche Curated by PDSP Ki Database									J Pharmacol Exp Ther 274: 148-54 (1995) BindingDB Entry DOI: 10.7270/Q2FJ2F9B
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (GUINEA PIG)	BDBM50070546 (1-(2-{(S)-3-(3,4-Dichloro-phenyl)-1-[2-(3-isopropo...) Show SMILES CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]34CCC(CC3)(CC4)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Neurokinin (NK1) receptor antagonistic activity was evaluated.				Bioorg Med Chem Lett 8: 1541-6 (1999) BindingDB Entry DOI: 10.7270/Q2BK1CVQ
					More data for this Ligand-Target Pair