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BDBM50071199 (R)-2-[(R)-2-(2-{2-[(R)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2-methyl-propionylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid::CHEMBL2373084

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=NTZRMRSXUCHMMO-HJOGWXRNSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50071199   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50071199
PNG
((R)-2-[(R)-2-(2-{2-[(R)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O7/c1-18(2)14-24(28(40)41)34-27(39)23(16-19-8-6-5-7-9-19)33-25(37)17-32-29(42)30(3,4)35-26(38)22(31)15-20-10-12-21(36)13-11-20/h5-13,18,22-24,36H,14-17,31H2,1-4H3,(H,32,42)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t22-,23-,24-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat mu-opioid receptor expressed in CHO cells by competitive inhibition of 1 nM [3H]DAMGO


Bioorg Med Chem Lett 8: 2027-32 (1999)


Article DOI: 10.1016/s0960-894x(98)00349-7
BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50071199
PNG
((R)-2-[(R)-2-(2-{2-[(R)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O7/c1-18(2)14-24(28(40)41)34-27(39)23(16-19-8-6-5-7-9-19)33-25(37)17-32-29(42)30(3,4)35-26(38)22(31)15-20-10-12-21(36)13-11-20/h5-13,18,22-24,36H,14-17,31H2,1-4H3,(H,32,42)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t22-,23-,24-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593


Bioorg Med Chem Lett 8: 2027-32 (1999)


Article DOI: 10.1016/s0960-894x(98)00349-7
BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50071199
PNG
((R)-2-[(R)-2-(2-{2-[(R)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O7/c1-18(2)14-24(28(40)41)34-27(39)23(16-19-8-6-5-7-9-19)33-25(37)17-32-29(42)30(3,4)35-26(38)22(31)15-20-10-12-21(36)13-11-20/h5-13,18,22-24,36H,14-17,31H2,1-4H3,(H,32,42)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t22-,23-,24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593


Bioorg Med Chem Lett 8: 2027-32 (1999)


Article DOI: 10.1016/s0960-894x(98)00349-7
BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50071199
PNG
((R)-2-[(R)-2-(2-{2-[(R)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C30H41N5O7/c1-18(2)14-24(28(40)41)34-27(39)23(16-19-8-6-5-7-9-19)33-25(37)17-32-29(42)30(3,4)35-26(38)22(31)15-20-10-12-21(36)13-11-20/h5-13,18,22-24,36H,14-17,31H2,1-4H3,(H,32,42)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t22-,23-,24-/m0/s1
PDB

Reactome pathway
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PC cid
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Article
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n/an/a 50n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2027-32 (1999)


Article DOI: 10.1016/s0960-894x(98)00349-7
BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair