Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50199863'   

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))	BDBM50199863 ((S)-1-((S)-2-(allylamino)-3-(4-hydroxy-2,6-dimethy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C39H46N6O5/c1-4-16-41-34(22-30-24(2)18-28(46)19-25(30)3)39(50)45-17-10-15-35(45)38(49)44-33(21-27-23-42-31-14-9-8-13-29(27)31)37(48)43-32(36(40)47)20-26-11-6-5-7-12-26/h4-9,11-14,18-19,23,32-35,41-42,46H,1,10,15-17,20-22H2,2-3H3,(H2,40,47)(H,43,48)(H,44,49)/t32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain P2 synaptosome				Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50199863 ((S)-1-((S)-2-(allylamino)-3-(4-hydroxy-2,6-dimethy...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C39H46N6O5/c1-4-16-41-34(22-30-24(2)18-28(46)19-25(30)3)39(50)45-17-10-15-35(45)38(49)44-33(21-27-23-42-31-14-9-8-13-29(27)31)37(48)43-32(36(40)47)20-26-11-6-5-7-12-26/h4-9,11-14,18-19,23,32-35,41-42,46H,1,10,15-17,20-22H2,2-3H3,(H2,40,47)(H,43,48)(H,44,49)/t32-,33-,34-,35-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig intestine assessed as inhibition of electrically evoked myenteric plexus longitudinal mu...				Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F
					More data for this Ligand-Target Pair