BDBM50041663 2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxymethyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradec-13-yl)-3-(4-hydroxy-phenyl)-propionamide::CHEMBL2372409

SMILES: CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O

InChI Key: InChIKey=KWGMXBJZDBBUHD-ZROJVYTPSA-N

Data: 4 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 4 hits for monomerid = 50041663   

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 (GUINEA PIG)	BDBM50041663 (2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxyme...) Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O |r| Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22-,23+,24+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibitory activity of the electrically induced guinea pig ileum longitudal muscle-myenteric plexus				J Med Chem 37: 1572-7 (1994) BindingDB Entry DOI: 10.7270/Q2DR2W47
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50041663 (2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxyme...) Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O |r| Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22-,23+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding				J Med Chem 37: 1572-7 (1994) BindingDB Entry DOI: 10.7270/Q2DR2W47
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50041663 (2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxyme...) Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O |r| Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22-,23+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens				J Med Chem 37: 1572-7 (1994) BindingDB Entry DOI: 10.7270/Q2DR2W47
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50041663 (2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxyme...) Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O |r| Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22-,23+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding				J Med Chem 37: 1572-7 (1994) BindingDB Entry DOI: 10.7270/Q2DR2W47
					More data for this Ligand-Target Pair