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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for UniProtKB: P33535   
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
Mu-type opioid/Nociceptin receptor


(Rattus norvegicus (rat)-RAT)
BDBM50492400
PNG
(CHEMBL2403214)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)c1cn(C)c2ccccc12 |r|
Show InChI InChI=1S/C50H71N15O9/c1-29(66)60-39(12-8-24-58-50(55)56)46(72)63-41(26-31-16-20-33(68)21-17-31)48(74)64-40(25-30-14-18-32(67)19-15-30)47(73)62-38(11-7-23-57-49(53)54)45(71)59-27-35(36-28-65(2)42-13-4-3-9-34(36)42)44(70)61-37(43(52)69)10-5-6-22-51/h3-4,9,13-21,28,35,37-41,67-68H,5-8,10-12,22-27,51H2,1-2H3,(H2,52,69)(H,59,71)(H,60,66)(H,61,70)(H,62,73)(H,63,72)(H,64,74)(H4,53,54,57)(H4,55,56,58)/t35-,37-,38-,39-,40-,41-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 316n/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
Activity at Wistar rat NOP/mu opioid receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction


Bioorg Med Chem Lett 23: 4052-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.064
BindingDB Entry DOI: 10.7270/Q2639SNZ
More data for this
Ligand-Target Pair
Mu-type opioid/Nociceptin receptor


(Rattus norvegicus (rat)-RAT)
BDBM50492403
PNG
(CHEMBL2403213)
Show SMILES COc1ccc2[nH]cc([C@H](CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C45H68N12O8S2/c1-27(58)53-35(14-10-20-50-45(48)49)42(62)57-38(23-28-11-6-5-7-12-28)44(64)56-36(17-21-66-3)41(61)52-26-32(31-25-51-33-16-15-29(65-2)24-30(31)33)40(60)55-37(18-22-67-4)43(63)54-34(39(47)59)13-8-9-19-46/h5-7,11-12,15-16,24-25,32,34-38,51H,8-10,13-14,17-23,26,46H2,1-4H3,(H2,47,59)(H,52,61)(H,53,58)(H,54,63)(H,55,60)(H,56,64)(H,57,62)(H4,48,49,50)/t32-,34-,35-,36-,37-,38-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 550n/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
Activity at Wistar rat NOP/mu opioid receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction in presence of...


Bioorg Med Chem Lett 23: 4052-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.064
BindingDB Entry DOI: 10.7270/Q2639SNZ
More data for this
Ligand-Target Pair
Mu-type opioid/Nociceptin receptor


(Rattus norvegicus (rat)-RAT)
BDBM50492400
PNG
(CHEMBL2403214)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)c1cn(C)c2ccccc12 |r|
Show InChI InChI=1S/C50H71N15O9/c1-29(66)60-39(12-8-24-58-50(55)56)46(72)63-41(26-31-16-20-33(68)21-17-31)48(74)64-40(25-30-14-18-32(67)19-15-30)47(73)62-38(11-7-23-57-49(53)54)45(71)59-27-35(36-28-65(2)42-13-4-3-9-34(36)42)44(70)61-37(43(52)69)10-5-6-22-51/h3-4,9,13-21,28,35,37-41,67-68H,5-8,10-12,22-27,51H2,1-2H3,(H2,52,69)(H,59,71)(H,60,66)(H,61,70)(H,62,73)(H,63,72)(H,64,74)(H4,53,54,57)(H4,55,56,58)/t35-,37-,38-,39-,40-,41-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 617n/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
Activity at Wistar rat NOP/mu opioid receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction in presence of...


Bioorg Med Chem Lett 23: 4052-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.064
BindingDB Entry DOI: 10.7270/Q2639SNZ
More data for this
Ligand-Target Pair
Mu-type opioid/Nociceptin receptor


(Rattus norvegicus (rat)-RAT)
BDBM50492403
PNG
(CHEMBL2403213)
Show SMILES COc1ccc2[nH]cc([C@H](CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C45H68N12O8S2/c1-27(58)53-35(14-10-20-50-45(48)49)42(62)57-38(23-28-11-6-5-7-12-28)44(64)56-36(17-21-66-3)41(61)52-26-32(31-25-51-33-16-15-29(65-2)24-30(31)33)40(60)55-37(18-22-67-4)43(63)54-34(39(47)59)13-8-9-19-46/h5-7,11-12,15-16,24-25,32,34-38,51H,8-10,13-14,17-23,26,46H2,1-4H3,(H2,47,59)(H,52,61)(H,53,58)(H,54,63)(H,55,60)(H,56,64)(H,57,62)(H4,48,49,50)/t32-,34-,35-,36-,37-,38-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.66E+3n/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
Activity at Wistar rat NOP/mu opioid receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction


Bioorg Med Chem Lett 23: 4052-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.064
BindingDB Entry DOI: 10.7270/Q2639SNZ
More data for this
Ligand-Target Pair