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BDBM85541 BU 95::BU-95

SMILES: COC12C=C[C@]3(C4[C@@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45

InChI Key: InChIKey=BANTYRLFVMBWRP-OXVLGACKSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 85541   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(MOUSE)
BDBM85541
PNG
(BU 95 | BU-95)
Show SMILES COC12C=C[C@]3(C4[C@@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23-,24-,26-,27+,28?/m1/s1
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PC cid
PC sid
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Similars

PubMed
0.480n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


BindingDB Entry DOI: 10.7270/Q2707ZZK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM85541
PNG
(BU 95 | BU-95)
Show SMILES COC12C=C[C@]3(C4[C@@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23-,24-,26-,27+,28?/m1/s1
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PubMed
1.41n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


BindingDB Entry DOI: 10.7270/Q2707ZZK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM85541
PNG
(BU 95 | BU-95)
Show SMILES COC12C=C[C@]3(C4[C@@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23-,24-,26-,27+,28?/m1/s1
PDB

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UniProtKB/TrEMBL

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UniChem

Similars

PubMed
3.20n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


BindingDB Entry DOI: 10.7270/Q2707ZZK
More data for this
Ligand-Target Pair