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BDBM50031223 (S)-3-[2-({(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-3-phenyl-propionylamino)-3-(3H-imidazol-4-yl)-propionylamino]-3,3-dimethyl-butyryl}-butyl-amino)-acetylamino]-succinamic acid::CHEMBL339437

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

InChI Key: InChIKey=LFARWJHELXEWEA-WHMHIQODSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50031223   
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))
BDBM50031223
PNG
((S)-3-[2-({(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Amino...)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C
Show InChI InChI=1S/C45H64N10O10S/c1-6-7-18-55(25-36(57)50-33(39(47)60)23-37(58)59)44(65)38(45(2,3)4)54-43(64)35(22-29-24-48-26-49-29)53-42(63)34(21-27-11-9-8-10-12-27)52-41(62)32(17-19-66-5)51-40(61)31(46)20-28-13-15-30(56)16-14-28/h8-16,24,26,31-35,38,56H,6-7,17-23,25,46H2,1-5H3,(H2,47,60)(H,48,49)(H,50,57)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,58,59)/t31-,32+,33-,34-,35-,38+/m0/s1
PDB

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KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.4n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain delta receptor


J Med Chem 38: 3995-9 (1995)


Article DOI: 10.1021/jm00020a013
BindingDB Entry DOI: 10.7270/Q2P849WG
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50031223
PNG
((S)-3-[2-({(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Amino...)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(O)=O)C(N)=O)C(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C
Show InChI InChI=1S/C45H64N10O10S/c1-6-7-18-55(25-36(57)50-33(39(47)60)23-37(58)59)44(65)38(45(2,3)4)54-43(64)35(22-29-24-48-26-49-29)53-42(63)34(21-27-11-9-8-10-12-27)52-41(62)32(17-19-66-5)51-40(61)31(46)20-28-13-15-30(56)16-14-28/h8-16,24,26,31-35,38,56H,6-7,17-23,25,46H2,1-5H3,(H2,47,60)(H,48,49)(H,50,57)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,58,59)/t31-,32+,33-,34-,35-,38+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
152n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAGO binding to rat brain Opioid receptor mu 1


J Med Chem 38: 3995-9 (1995)


Article DOI: 10.1021/jm00020a013
BindingDB Entry DOI: 10.7270/Q2P849WG
More data for this
Ligand-Target Pair