Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50194488'
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM50194488(6-[4'-(H-Dmt)-aminobutyl]-3-[3'-(H-Dmt)-aminopropy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-30-23(5)39-31(34(45)40-30)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1
Affinity DataKi:  18.8nMAssay Description:Displacement of [3H]deltorphin II from delta opioid receptor in rat synaptosomes P2 fractionMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM50194488(6-[4'-(H-Dmt)-aminobutyl]-3-[3'-(H-Dmt)-aminopropy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-30-23(5)39-31(34(45)40-30)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Activity at delta opioid receptor assessed as inhibition of muscle contraction in mouse vas deferens assayMore data for this Ligand-Target Pair