BDBM50299217 (5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-8,11-dibenzyl-7,10,13-trioxo-1,3-dithia-6,9,12-triazacyclopentadecane-5-carboxamide::CHEMBL583066

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

InChI Key: InChIKey=KZEWGAHUIUQCHU-MYHRABSESA-N

Data: 6 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 6 hits for monomerid = 50299217   

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))	BDBM50299217 ((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](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C34H40N6O6S2/c35-25(15-23-11-13-24(41)14-12-23)31(43)40-29-19-48-20-47-18-28(30(36)42)39-33(45)27(17-22-9-5-2-6-10-22)37-32(44)26(38-34(29)46)16-21-7-3-1-4-8-21/h1-14,25-29,41H,15-20,35H2,(H2,36,42)(H,37,44)(H,38,46)(H,39,45)(H,40,43)/t25-,26-,27-,28-,29+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Binding affinity at mu opioid receptor (unknown origin)				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50299217 ((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](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C34H40N6O6S2/c35-25(15-23-11-13-24(41)14-12-23)31(43)40-29-19-48-20-47-18-28(30(36)42)39-33(45)27(17-22-9-5-2-6-10-22)37-32(44)26(38-34(29)46)16-21-7-3-1-4-8-21/h1-14,25-29,41H,15-20,35H2,(H2,36,42)(H,37,44)(H,38,46)(H,39,45)(H,40,43)/t25-,26-,27-,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0160	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299217 ((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](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C34H40N6O6S2/c35-25(15-23-11-13-24(41)14-12-23)31(43)40-29-19-48-20-47-18-28(30(36)42)39-33(45)27(17-22-9-5-2-6-10-22)37-32(44)26(38-34(29)46)16-21-7-3-1-4-8-21/h1-14,25-29,41H,15-20,35H2,(H2,36,42)(H,37,44)(H,38,46)(H,39,45)(H,40,43)/t25-,26-,27-,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Binding affinity at delta opioid receptor (unknown origin)				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50299217 ((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](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C34H40N6O6S2/c35-25(15-23-11-13-24(41)14-12-23)31(43)40-29-19-48-20-47-18-28(30(36)42)39-33(45)27(17-22-9-5-2-6-10-22)37-32(44)26(38-34(29)46)16-21-7-3-1-4-8-21/h1-14,25-29,41H,15-20,35H2,(H2,36,42)(H,37,44)(H,38,46)(H,39,45)(H,40,43)/t25-,26-,27-,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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 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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299217 ((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](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C34H40N6O6S2/c35-25(15-23-11-13-24(41)14-12-23)31(43)40-29-19-48-20-47-18-28(30(36)42)39-33(45)27(17-22-9-5-2-6-10-22)37-32(44)26(38-34(29)46)16-21-7-3-1-4-8-21/h1-14,25-29,41H,15-20,35H2,(H2,36,42)(H,37,44)(H,38,46)(H,39,45)(H,40,43)/t25-,26-,27-,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299217 ((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](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C34H40N6O6S2/c35-25(15-23-11-13-24(41)14-12-23)31(43)40-29-19-48-20-47-18-28(30(36)42)39-33(45)27(17-22-9-5-2-6-10-22)37-32(44)26(38-34(29)46)16-21-7-3-1-4-8-21/h1-14,25-29,41H,15-20,35H2,(H2,36,42)(H,37,44)(H,38,46)(H,39,45)(H,40,43)/t25-,26-,27-,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor (unknown origin)				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
					More data for this Ligand-Target Pair