BDBM50174571 CHEMBL3809310

SMILES: [Br-].Clc1ccc2C(=O)CC(C(=O)N3CCc4ccccc4C3C[N+]3(CC=C)CCCC3)c2c1

InChI Key: InChIKey=YHZVVMRDPHLBBP-UHFFFAOYSA-M

Data: 1 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 1 hit for monomerid = 50174571   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174571 (CHEMBL3809310) Show SMILES [Br-].Clc1ccc2C(=O)CC(C(=O)N3CCc4ccccc4C3C[N+]3(CC=C)CCCC3)c2c1 Show InChI InChI=1S/C27H30ClN2O2.BrH/c1-2-13-30(14-5-6-15-30)18-25-21-8-4-3-7-19(21)11-12-29(25)27(32)24-17-26(31)22-10-9-20(28)16-23(22)24;/h2-4,7-10,16,24-25H,1,5-6,11-15,17-18H2;1H/q+1;/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting ana...				Bioorg Med Chem 24: 2964-2970 (2016) BindingDB Entry DOI: 10.7270/Q2P84DTT
					More data for this Ligand-Target Pair