BDBM50299216 (4R,7S,10S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-7-benzyl-10-(naphthalen-1-ylmethyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxamide::CHEMBL583067

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

InChI Key: InChIKey=RFLADRGLBBWMFM-QEUNAIBPSA-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 = 50299216   

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))	BDBM50299216 ((4R,7S,10S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C37H40N6O6S2/c38-28(17-23-13-15-26(44)16-14-23)34(46)43-32-21-51-50-20-31(33(39)45)42-35(47)29(18-22-7-2-1-3-8-22)40-36(48)30(41-37(32)49)19-25-11-6-10-24-9-4-5-12-27(24)25/h1-16,28-32,44H,17-21,38H2,(H2,39,45)(H,40,48)(H,41,49)(H,42,47)(H,43,46)/t28-,29-,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	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))	BDBM50299216 ((4R,7S,10S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C37H40N6O6S2/c38-28(17-23-13-15-26(44)16-14-23)34(46)43-32-21-51-50-20-31(33(39)45)42-35(47)29(18-22-7-2-1-3-8-22)40-36(48)30(41-37(32)49)19-25-11-6-10-24-9-4-5-12-27(24)25/h1-16,28-32,44H,17-21,38H2,(H2,39,45)(H,40,48)(H,41,49)(H,42,47)(H,43,46)/t28-,29-,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50299216 ((4R,7S,10S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C37H40N6O6S2/c38-28(17-23-13-15-26(44)16-14-23)34(46)43-32-21-51-50-20-31(33(39)45)42-35(47)29(18-22-7-2-1-3-8-22)40-36(48)30(41-37(32)49)19-25-11-6-10-24-9-4-5-12-27(24)25/h1-16,28-32,44H,17-21,38H2,(H2,39,45)(H,40,48)(H,41,49)(H,42,47)(H,43,46)/t28-,29-,30-,31-,32+/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