Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50166050'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50166050 ((1S,2R)-2-[2-Amino-3-((S)-4-hydroxy-phenyl)-propio...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C33H39N5O5/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/h1-6,8-11,14-17,25-29,39H,7,12-13,18-20,34H2,(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	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]endomorphin-2 from mu opioid receptor in Wistar rat brain				J Med Chem 51: 4270-9 (2008) Article DOI: 10.1021/jm800223t BindingDB Entry DOI: 10.7270/Q2QC038R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50166050 ((1S,2R)-2-[2-Amino-3-((S)-4-hydroxy-phenyl)-propio...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C33H39N5O5/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/h1-6,8-11,14-17,25-29,39H,7,12-13,18-20,34H2,(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	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain				J Med Chem 51: 4270-9 (2008) Article DOI: 10.1021/jm800223t BindingDB Entry DOI: 10.7270/Q2QC038R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50166050 ((1S,2R)-2-[2-Amino-3-((S)-4-hydroxy-phenyl)-propio...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C33H39N5O5/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/h1-6,8-11,14-17,25-29,39H,7,12-13,18-20,34H2,(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	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Szeged Curated by ChEMBL					Assay Description Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to mouse brain mu opioid receptor				J Med Chem 48: 3239-50 (2005) Article DOI: 10.1021/jm049157i BindingDB Entry DOI: 10.7270/Q28P601Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50166050 ((1S,2R)-2-[2-Amino-3-((S)-4-hydroxy-phenyl)-propio...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C33H39N5O5/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/h1-6,8-11,14-17,25-29,39H,7,12-13,18-20,34H2,(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	353	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Activity at mu opioid receptor in Wistar rat brain assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 51: 4270-9 (2008) Article DOI: 10.1021/jm800223t BindingDB Entry DOI: 10.7270/Q2QC038R
					More data for this Ligand-Target Pair