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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM85336'   
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


(MOUSE)
BDBM85336
PNG
(CAS_132632 | NSC_132632 | Tyr-W-Mif 1)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C27H32N6O5/c28-20(12-16-7-9-18(34)10-8-16)27(38)33-11-3-6-23(33)26(37)32-22(25(36)31-15-24(29)35)13-17-14-30-21-5-2-1-4-19(17)21/h1-2,4-5,7-10,14,20,22-23,30,34H,3,6,11-13,15,28H2,(H2,29,35)(H,31,36)(H,32,37)
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B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM85336
PNG
(CAS_132632 | NSC_132632 | Tyr-W-Mif 1)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C27H32N6O5/c28-20(12-16-7-9-18(34)10-8-16)27(38)33-11-3-6-23(33)26(37)32-22(25(36)31-15-24(29)35)13-17-14-30-21-5-2-1-4-19(17)21/h1-2,4-5,7-10,14,20,22-23,30,34H,3,6,11-13,15,28H2,(H2,29,35)(H,31,36)(H,32,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
44.7n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair