BDBM50299215 (5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-8-benzyl-11-(naphthalen-1-ylmethyl)-7,10,13-trioxo-1,3-dithia-6,9,12-triazacyclopentadecane-5-carboxamide::CHEMBL583274

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(N)=O

InChI Key: InChIKey=TXTSWSKHKLPWOE-PMUGGPHNSA-N

Data: 3 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 3 hits for monomerid = 50299215   

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 (Rattus norvegicus (rat))	BDBM50299215 ((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C38H42N6O6S2/c39-29(17-24-13-15-27(45)16-14-24)35(47)44-33-21-52-22-51-20-32(34(40)46)43-36(48)30(18-23-7-2-1-3-8-23)41-37(49)31(42-38(33)50)19-26-11-6-10-25-9-4-5-12-28(25)26/h1-16,29-33,45H,17-22,39H2,(H2,40,46)(H,41,49)(H,42,50)(H,43,48)(H,44,47)/t29-,30-,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells after 1 hr by liquid scintillation counting				J Med Chem 52: 7724-31 (2009) Article DOI: 10.1021/jm9007483 BindingDB Entry DOI: 10.7270/Q2GQ6XTD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299215 ((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C38H42N6O6S2/c39-29(17-24-13-15-27(45)16-14-24)35(47)44-33-21-52-22-51-20-32(34(40)46)43-36(48)30(18-23-7-2-1-3-8-23)41-37(49)31(42-38(33)50)19-26-11-6-10-25-9-4-5-12-28(25)26/h1-16,29-33,45H,17-22,39H2,(H2,40,46)(H,41,49)(H,42,50)(H,43,48)(H,44,47)/t29-,30-,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting				J Med Chem 52: 7724-31 (2009) Article DOI: 10.1021/jm9007483 BindingDB Entry DOI: 10.7270/Q2GQ6XTD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50299215 ((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C38H42N6O6S2/c39-29(17-24-13-15-27(45)16-14-24)35(47)44-33-21-52-22-51-20-32(34(40)46)43-36(48)30(18-23-7-2-1-3-8-23)41-37(49)31(42-38(33)50)19-26-11-6-10-25-9-4-5-12-28(25)26/h1-16,29-33,45H,17-22,39H2,(H2,40,46)(H,41,49)(H,42,50)(H,43,48)(H,44,47)/t29-,30-,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cells after 1 hr by liquid scintillation counting				J Med Chem 52: 7724-31 (2009) Article DOI: 10.1021/jm9007483 BindingDB Entry DOI: 10.7270/Q2GQ6XTD
					More data for this Ligand-Target Pair