BDBM50127363 (S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioic acid ((R)-1-thiophen-3-ylmethyl-pyrrolidin-2-ylmethyl)-amide::CHEMBL40528

SMILES: O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccsc1)Nc1ccccc1

InChI Key: InChIKey=RDWLSMJKDZGGQQ-FTJBHMTQSA-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 = 50127363   

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))	BDBM50127363 ((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...) Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccsc1)Nc1ccccc1 Show InChI InChI=1S/C28H33N5OS2/c34-27(31-24-9-2-1-3-10-24)29-17-26-15-22-7-4-5-8-23(22)19-33(26)28(35)30-16-25-11-6-13-32(25)18-21-12-14-36-20-21/h1-5,7-10,12,14,20,25-26H,6,11,13,15-19H2,(H,30,35)(H2,29,31,34)/t25-,26+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	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