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BDBM50009149 2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-3-phenyl-propionylamino)-3-(3H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoylamino}-4-methylsulfanyl-butyrylamino)-succinamic acid::CHEMBL282202

SMILES: CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(N)=O

InChI Key: InChIKey=WGWQXWVBUHKAKM-NWOHMYAQSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50009149   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009149
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C44H63N11O9S2/c1-25(2)18-34(42(62)51-32(15-17-66-4)40(60)52-33(38(47)58)22-37(46)57)53-44(64)36(21-28-23-48-24-49-28)55-43(63)35(20-26-8-6-5-7-9-26)54-41(61)31(14-16-65-3)50-39(59)30(45)19-27-10-12-29(56)13-11-27/h5-13,23-25,30-36,56H,14-22,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,49)(H,50,59)(H,51,62)(H,52,60)(H,53,64)(H,54,61)(H,55,63)/t30-,31+,32-,33-,34-,35-,36-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.220n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in P2 membrane preparation of rat brain by [3H]DADLE displacement.


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009149
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C44H63N11O9S2/c1-25(2)18-34(42(62)51-32(15-17-66-4)40(60)52-33(38(47)58)22-37(46)57)53-44(64)36(21-28-23-48-24-49-28)55-43(63)35(20-26-8-6-5-7-9-26)54-41(61)31(14-16-65-3)50-39(59)30(45)19-27-10-12-29(56)13-11-27/h5-13,23-25,30-36,56H,14-22,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,49)(H,50,59)(H,51,62)(H,52,60)(H,53,64)(H,54,61)(H,55,63)/t30-,31+,32-,33-,34-,35-,36-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
119n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in P2 membrane preparation of rat brain by [3H]DAGO displacement.


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair