BDBM50493362 CHEMBL2425432

SMILES: OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=DSNBFOPNHGRKNZ-WYDLTDSDSA-N

Data: 2 KI  2 IC50

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 = 50493362   

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))	BDBM50493362 (CHEMBL2425432) Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C36H45N5O6.C2HF3O2/c1-39(31(33(44)38-19-21-42)23-25-10-5-3-6-11-25)36(47)32(24-26-12-7-4-8-13-26)40(2)35(46)30-14-9-20-41(30)34(45)29(37)22-27-15-17-28(43)18-16-27;3-2(4,5)1(6)7/h3-8,10-13,15-18,29-32,42-43H,9,14,19-24,37H2,1-2H3,(H,38,44);(H,6,7)/t29-,30-,31-,32-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting				Eur J Med Chem 68: 167-77 (2013) Article DOI: 10.1016/j.ejmech.2013.07.044 BindingDB Entry DOI: 10.7270/Q2D79FCG
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50493362 (CHEMBL2425432) Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C36H45N5O6.C2HF3O2/c1-39(31(33(44)38-19-21-42)23-25-10-5-3-6-11-25)36(47)32(24-26-12-7-4-8-13-26)40(2)35(46)30-14-9-20-41(30)34(45)29(37)22-27-15-17-28(43)18-16-27;3-2(4,5)1(6)7/h3-8,10-13,15-18,29-32,42-43H,9,14,19-24,37H2,1-2H3,(H,38,44);(H,6,7)/t29-,30-,31-,32-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara Curated by ChEMBL					Assay Description Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting				Eur J Med Chem 68: 167-77 (2013) Article DOI: 10.1016/j.ejmech.2013.07.044 BindingDB Entry DOI: 10.7270/Q2D79FCG
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50493362 (CHEMBL2425432) Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C36H45N5O6.C2HF3O2/c1-39(31(33(44)38-19-21-42)23-25-10-5-3-6-11-25)36(47)32(24-26-12-7-4-8-13-26)40(2)35(46)30-14-9-20-41(30)34(45)29(37)22-27-15-17-28(43)18-16-27;3-2(4,5)1(6)7/h3-8,10-13,15-18,29-32,42-43H,9,14,19-24,37H2,1-2H3,(H,38,44);(H,6,7)/t29-,30-,31-,32-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara Curated by ChEMBL					Assay Description Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting				Eur J Med Chem 68: 167-77 (2013) Article DOI: 10.1016/j.ejmech.2013.07.044 BindingDB Entry DOI: 10.7270/Q2D79FCG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50493362 (CHEMBL2425432) Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C36H45N5O6.C2HF3O2/c1-39(31(33(44)38-19-21-42)23-25-10-5-3-6-11-25)36(47)32(24-26-12-7-4-8-13-26)40(2)35(46)30-14-9-20-41(30)34(45)29(37)22-27-15-17-28(43)18-16-27;3-2(4,5)1(6)7/h3-8,10-13,15-18,29-32,42-43H,9,14,19-24,37H2,1-2H3,(H,38,44);(H,6,7)/t29-,30-,31-,32-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting				Eur J Med Chem 68: 167-77 (2013) Article DOI: 10.1016/j.ejmech.2013.07.044 BindingDB Entry DOI: 10.7270/Q2D79FCG
					More data for this Ligand-Target Pair