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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50035039   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354578
PNG
(BUPRENORPHINE | US10752592, Compound buprenorphine...)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
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PC cid
PC sid
UniChem

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Similars

PubMed
n/an/an/an/a 2.30n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity was evaluated in human mu opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay


Bioorg Med Chem Lett 9: 831-4 (1999)


BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50451004
PNG
(CHEMBL2110315)
Show SMILES [H][C@@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20+,23+,24-,25+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 1.90n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity was evaluated in human mu opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay


Bioorg Med Chem Lett 9: 831-4 (1999)


BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair