BDBM50092198 CHEMBL3580743

SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O

InChI Key InChIKey=ARPMOQQOTWEYPJ-JZVHMONDSA-N

Data  3 IC50  3 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50092198   

TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Medical University of Lodz

Curated by ChEMBL
LigandPNGBDBM50092198(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/m0/s1
Affinity DataIC50: 110nMAssay Description:Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Medical University of Lodz

Curated by ChEMBL
LigandPNGBDBM50092198(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/m0/s1
Affinity DataEC50:  6.30nMAssay Description:Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
Medical University of Lodz

Curated by ChEMBL
LigandPNGBDBM50092198(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/m0/s1
Affinity DataEC50:  126nMAssay Description:Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele...More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Medical University of Lodz

Curated by ChEMBL
LigandPNGBDBM50092198(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/m0/s1
Affinity DataIC50: 0.900nMAssay Description:Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Rattus norvegicus (rat))
Medical University of Lodz

Curated by ChEMBL
LigandPNGBDBM50092198(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/m0/s1
Affinity DataIC50: 0.420nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
Medical University of Lodz

Curated by ChEMBL
LigandPNGBDBM50092198(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/m0/s1
Affinity DataEC50:  4.90nMAssay Description:Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...More data for this Ligand-Target Pair