BDBM50000802 13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::CHEMBL76086

SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1

InChI Key InChIKey=ABAHQIMHTWGRPU-FNKBIRPFSA-N

Data  4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50000802   

TargetMu-type opioid receptor(Rattus norvegicus (rat))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50000802(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/m0/s1
Affinity DataIC50: 1.86E+4nMAssay Description:Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50000802(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/m0/s1
Affinity DataIC50: 440nMAssay Description:Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (delta opioid receptor selective ligand)More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(MOUSE)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50000802(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/m0/s1
Affinity DataIC50: 243nMAssay Description:Compound was evaluated for the percentage of maximum inhibition at Opioid receptor delta 1More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50000802(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/m0/s1
Affinity DataIC50: 7.18E+3nMAssay Description:Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Guinea pig ileumMore data for this Ligand-Target Pair