BDBM50545396 CHEMBL4638691

SMILES: NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1

InChI Key: InChIKey=QOWGFIGPKIWGDA-DXLYGPJMSA-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 = 50545396   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50545396 (CHEMBL4638691) Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50545396 (CHEMBL4638691) Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat))	BDBM50545396 (CHEMBL4638691) Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50545396 (CHEMBL4638691) Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r| Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor (unknown origin) expressed in human HEK293 cells assessed as increase in cAMP accumulation using [3H]-cAMP as ...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair