BDBM50083732 (6R,9R)-10-((S)-2-Amino-3-phenyl-propionylamino)-7-benzyl-3,3-dimethyl-6,9-dioxo-1,2-dithia-5,8-diaza-cycloundecane-4-carboxylic acid amide::CHEMBL324390

SMILES: CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O

InChI Key: InChIKey=IYVHIOLNKLWIGU-JSXRDJHFSA-N

Data: 1 KI  1 IC50

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 = 50083732   

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))	BDBM50083732 ((6R,9R)-10-((S)-2-Amino-3-phenyl-propionylamino)-7...) Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O Show InChI InChI=1S/C26H33N5O4S2/c1-26(2)21(22(28)32)31-24(34)19(14-17-11-7-4-8-12-17)29-25(35)20(15-36-37-26)30-23(33)18(27)13-16-9-5-3-6-10-16/h3-12,18-21H,13-15,27H2,1-2H3,(H2,28,32)(H,29,35)(H,30,33)(H,31,34)/t18-,19+,20-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Louisville Curated by ChEMBL					Assay Description Compound was tested for binding affinity against mu opioid receptor binding assay				Bioorg Med Chem Lett 9: 3441-6 (2000) BindingDB Entry DOI: 10.7270/Q2P55MQ9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50083732 ((6R,9R)-10-((S)-2-Amino-3-phenyl-propionylamino)-7...) Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O Show InChI InChI=1S/C26H33N5O4S2/c1-26(2)21(22(28)32)31-24(34)19(14-17-11-7-4-8-12-17)29-25(35)20(15-36-37-26)30-23(33)18(27)13-16-9-5-3-6-10-16/h3-12,18-21H,13-15,27H2,1-2H3,(H2,28,32)(H,29,35)(H,30,33)(H,31,34)/t18-,19+,20-,21+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Louisville Curated by ChEMBL					Assay Description Compound was tested for its ability to activate mu opioid receptor in GPI bioassay				Bioorg Med Chem Lett 9: 3441-6 (2000) BindingDB Entry DOI: 10.7270/Q2P55MQ9
					More data for this Ligand-Target Pair