null

SMILES: CN([C@H](CN1CC[C@@H](O)C1)c1ccccc1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=HWEZMDZRYSNGGK-YLJYHZDGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50161317   

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))	BDBM50161317 (3,4-Dichloro-N-({[(S)-2-((R)-3-hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@@H](O)C1)c1ccccc1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N3O3/c1-26(21(29)12-25-22(30)16-7-8-18(23)19(24)11-16)20(15-5-3-2-4-6-15)14-27-10-9-17(28)13-27/h2-8,11,17,20,28H,9-10,12-14H2,1H3,(H,25,30)/t17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity for human kappa opioid receptor was determined by using [3H]-diprenorphine as radioligand				Bioorg Med Chem Lett 15: 1279-82 (2005) Article DOI: 10.1016/j.bmcl.2005.01.038 BindingDB Entry DOI: 10.7270/Q2QF8SDJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161317 (3,4-Dichloro-N-({[(S)-2-((R)-3-hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@@H](O)C1)c1ccccc1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N3O3/c1-26(21(29)12-25-22(30)16-7-8-18(23)19(24)11-16)20(15-5-3-2-4-6-15)14-27-10-9-17(28)13-27/h2-8,11,17,20,28H,9-10,12-14H2,1H3,(H,25,30)/t17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.760	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro effective concentration towards human kappa opioid receptor was determined using [35S]-GTP-gamma S as radioligand; Not determined				Bioorg Med Chem Lett 15: 1279-82 (2005) Article DOI: 10.1016/j.bmcl.2005.01.038 BindingDB Entry DOI: 10.7270/Q2QF8SDJ
					More data for this Ligand-Target Pair