BDBM50127369 (S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioic acid [(R)-1-(2-fluoro-benzyl)-pyrrolidin-2-ylmethyl]-amide::CHEMBL40108

SMILES: Fc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1

InChI Key: InChIKey=CTKJZPVXNIQELN-SXOMAYOGSA-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 = 50127369   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50127369 ((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...) Show SMILES Fc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1 Show InChI InChI=1S/C30H34FN5OS/c31-28-15-7-6-11-24(28)20-35-16-8-14-26(35)18-33-30(38)36-21-23-10-5-4-9-22(23)17-27(36)19-32-29(37)34-25-12-2-1-3-13-25/h1-7,9-13,15,26-27H,8,14,16-21H2,(H,33,38)(H2,32,34,37)/t26-,27+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity for mu opioid receptor				Bioorg Med Chem Lett 13: 1585-9 (2003) BindingDB Entry DOI: 10.7270/Q2377838
					More data for this Ligand-Target Pair