BDBM50127360 CHEMBL290919::N-(4-{(R)-2-[({(S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioyl}-amino)-methyl]-pyrrolidin-1-ylmethyl}-phenyl)-acetamide

SMILES: CC(=O)Nc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1

InChI Key: InChIKey=RFMDABBQJCWFGN-IHLOFXLRSA-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 = 50127360   

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))	BDBM50127360 (CHEMBL290919 | N-(4-{(R)-2-[({(S)-3-[(3-Phenyl-ure...) Show SMILES CC(=O)Nc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C32H38N6O2S/c1-23(39)35-28-15-13-24(14-16-28)21-37-17-7-12-29(37)19-34-32(41)38-22-26-9-6-5-8-25(26)18-30(38)20-33-31(40)36-27-10-3-2-4-11-27/h2-6,8-11,13-16,29-30H,7,12,17-22H2,1H3,(H,34,41)(H,35,39)(H2,33,36,40)/t29-,30+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	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