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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50103534'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM50103534
PNG
(CHEMBL3343949)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C46H74N14O9/c1-5-27(4)37(44(69)55-32(38(48)63)10-6-7-21-47)60-41(66)34(12-9-23-54-46(51)52)57-42(67)35(24-28-13-17-30(61)18-14-28)59-43(68)36(25-29-15-19-31(62)20-16-29)58-40(65)33(56-39(64)26(2)3)11-8-22-53-45(49)50/h13-20,26-27,32-37,61-62H,5-12,21-25,47H2,1-4H3,(H2,48,63)(H,55,69)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,66)(H4,49,50,53)(H4,51,52,54)/t27-,32-,33-,34-,35-,36-,37-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.0590n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]]nociceptin from human ORL1 receptor high affinity binding site expressed in African green monkey COS7 cells after 90 mins by top...


Bioorg Med Chem 22: 5902-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.018
BindingDB Entry DOI: 10.7270/Q2WD42BN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50103534
PNG
(CHEMBL3343949)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C46H74N14O9/c1-5-27(4)37(44(69)55-32(38(48)63)10-6-7-21-47)60-41(66)34(12-9-23-54-46(51)52)57-42(67)35(24-28-13-17-30(61)18-14-28)59-43(68)36(25-29-15-19-31(62)20-16-29)58-40(65)33(56-39(64)26(2)3)11-8-22-53-45(49)50/h13-20,26-27,32-37,61-62H,5-12,21-25,47H2,1-4H3,(H2,48,63)(H,55,69)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,66)(H4,49,50,53)(H4,51,52,54)/t27-,32-,33-,34-,35-,36-,37-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]]nociceptin from human ORL1 receptor expressed in African green monkey COS7 cells after 90 mins by topcount analysis


Bioorg Med Chem 22: 5902-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.018
BindingDB Entry DOI: 10.7270/Q2WD42BN
More data for this
Ligand-Target Pair