BDBM50398563 CHEMBL2178089

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=FFXSSGPCMCLJML-YTRKHUOHSA-N

Data: 2 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 3 hits for monomerid = 50398563   

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))	BDBM50398563 (CHEMBL2178089) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15| Show InChI InChI=1S/C33H37N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-11,13-17,25-29,39H,12,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes				J Med Chem 55: 8418-28 (2012) Article DOI: 10.1021/jm300836n BindingDB Entry DOI: 10.7270/Q2Q52QR5
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50398563 (CHEMBL2178089) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15| Show InChI InChI=1S/C33H37N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-11,13-17,25-29,39H,12,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/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	9.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membranes				J Med Chem 55: 8418-28 (2012) Article DOI: 10.1021/jm300836n BindingDB Entry DOI: 10.7270/Q2Q52QR5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50398563 (CHEMBL2178089) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C=CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15| Show InChI InChI=1S/C33H37N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-11,13-17,25-29,39H,12,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/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	n/a	n/a	n/a	n/a	345	n/a	n/a	n/a	n/a
Biological Research Center of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Wistar rat brain membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 55: 8418-28 (2012) Article DOI: 10.1021/jm300836n BindingDB Entry DOI: 10.7270/Q2Q52QR5
					More data for this Ligand-Target Pair