BDBM50174575 CHEMBL3808514

SMILES: [I-].C[N+]1(CC2N(CCc3cc(O)ccc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1

InChI Key: InChIKey=KQADYTJKZFTEOI-UHFFFAOYSA-N

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 = 50174575   

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))	BDBM50174575 (CHEMBL3808514) Show SMILES [I-].C[N+]1(CC2N(CCc3cc(O)ccc23)C(=O)C2CC(=O)c3ccc(Cl)cc23)CCCC1 Show InChI InChI=1S/C25H27ClN2O3.HI/c1-28(10-2-3-11-28)15-23-19-7-5-18(29)12-16(19)8-9-27(23)25(31)22-14-24(30)20-6-4-17(26)13-21(20)22;/h4-7,12-13,22-23H,2-3,8-11,14-15H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	231	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