BDBM50161313 CHEMBL178359::N-{[Methyl-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-carbamoyl]-methyl}-benzamide

SMILES: CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)c1ccccc1

InChI Key: InChIKey=DQFWYJXDMRJLRG-HXUWFJFHSA-N

Data: 1 KI  1 EC50

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 = 50161313   

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))	BDBM50161313 (CHEMBL178359 | N-{[Methyl-((S)-1-phenyl-2-pyrrolid...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)c1ccccc1 Show InChI InChI=1S/C22H27N3O2/c1-24(21(26)16-23-22(27)19-12-6-3-7-13-19)20(17-25-14-8-9-15-25)18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,23,27)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	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))	BDBM50161313 (CHEMBL178359 | N-{[Methyl-((S)-1-phenyl-2-pyrrolid...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)c1ccccc1 Show InChI InChI=1S/C22H27N3O2/c1-24(21(26)16-23-22(27)19-12-6-3-7-13-19)20(17-25-14-8-9-15-25)18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-17H2,1H3,(H,23,27)/t20-/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	3.85	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