BDBM50142696 CHEMBL3758259

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O

InChI Key: InChIKey=FWDMWCQXNFZSCZ-AGGIAQGOSA-N

Data: 3 KI  1 EC50

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 = 50142696   

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))	BDBM50142696 (CHEMBL3758259) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C38H42N6O6S2/c39-29(17-24-11-14-28(45)15-12-24)35(47)44-33-21-52-22-51-20-32(34(40)46)43-37(49)31(19-25-10-13-26-8-4-5-9-27(26)16-25)41-36(48)30(42-38(33)50)18-23-6-2-1-3-7-23/h1-16,29-33,45H,17-22,39H2,(H2,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,47)/t29-,30-,31-,32+,33-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.470	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50142696 (CHEMBL3758259) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C38H42N6O6S2/c39-29(17-24-11-14-28(45)15-12-24)35(47)44-33-21-52-22-51-20-32(34(40)46)43-37(49)31(19-25-10-13-26-8-4-5-9-27(26)16-25)41-36(48)30(42-38(33)50)18-23-6-2-1-3-7-23/h1-16,29-33,45H,17-22,39H2,(H2,40,46)(H,41,48)(H,42,50)(H,43,49)(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	PubMed	0.480	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50142696 (CHEMBL3758259) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C38H42N6O6S2/c39-29(17-24-11-14-28(45)15-12-24)35(47)44-33-21-52-22-51-20-32(34(40)46)43-37(49)31(19-25-10-13-26-8-4-5-9-27(26)16-25)41-36(48)30(42-38(33)50)18-23-6-2-1-3-7-23/h1-16,29-33,45H,17-22,39H2,(H2,40,46)(H,41,48)(H,42,50)(H,43,49)(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	PubMed	1.30	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50142696 (CHEMBL3758259) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C38H42N6O6S2/c39-29(17-24-11-14-28(45)15-12-24)35(47)44-33-21-52-22-51-20-32(34(40)46)43-37(49)31(19-25-10-13-26-8-4-5-9-27(26)16-25)41-36(48)30(42-38(33)50)18-23-6-2-1-3-7-23/h1-16,29-33,45H,17-22,39H2,(H2,40,46)(H,41,48)(H,42,50)(H,43,49)(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	PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Partial agonist activity at delta opioid receptor (unknown origin) assessed as inhibition of adenylyl cyclase activity				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
					More data for this Ligand-Target Pair