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PubMed code 11297446

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50098209
PNG
(22-cyclopropylmethyl-9-(3,4-diformylphenylcarboxam...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(NC(=O)c4ccc(C=O)c(C=O)c4)cccc2c1C[C@@]35O |TLB:17:18:42:7.13.12,3:4:42:7.13.12|
Show InChI InChI=1S/C35H31N3O6/c39-16-21-7-6-20(12-22(21)17-40)33(42)36-25-3-1-2-23-24-14-35(43)27-13-19-8-9-26(41)31-28(19)34(35,10-11-38(27)15-18-4-5-18)32(44-31)30(24)37-29(23)25/h1-3,6-9,12,16-18,27,32,37,41,43H,4-5,10-11,13-15H2,(H,36,42)/t27?,32?,34-,35+/m0/s1
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PC cid
PC sid
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1.90n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity towards delta-opioid receptor from CHO cells


J Med Chem 44: 1017-20 (2001)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50098209
PNG
(22-cyclopropylmethyl-9-(3,4-diformylphenylcarboxam...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(NC(=O)c4ccc(C=O)c(C=O)c4)cccc2c1C[C@@]35O |TLB:17:18:42:7.13.12,3:4:42:7.13.12|
Show InChI InChI=1S/C35H31N3O6/c39-16-21-7-6-20(12-22(21)17-40)33(42)36-25-3-1-2-23-24-14-35(43)27-13-19-8-9-26(41)31-28(19)34(35,10-11-38(27)15-18-4-5-18)32(44-31)30(24)37-29(23)25/h1-3,6-9,12,16-18,27,32,37,41,43H,4-5,10-11,13-15H2,(H,36,42)/t27?,32?,34-,35+/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor from CHO cells


J Med Chem 44: 1017-20 (2001)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50098209
PNG
(22-cyclopropylmethyl-9-(3,4-diformylphenylcarboxam...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(NC(=O)c4ccc(C=O)c(C=O)c4)cccc2c1C[C@@]35O |TLB:17:18:42:7.13.12,3:4:42:7.13.12|
Show InChI InChI=1S/C35H31N3O6/c39-16-21-7-6-20(12-22(21)17-40)33(42)36-25-3-1-2-23-24-14-35(43)27-13-19-8-9-26(41)31-28(19)34(35,10-11-38(27)15-18-4-5-18)32(44-31)30(24)37-29(23)25/h1-3,6-9,12,16-18,27,32,37,41,43H,4-5,10-11,13-15H2,(H,36,42)/t27?,32?,34-,35+/m0/s1
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PubMed
20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor kappa 1 from CHO cells


J Med Chem 44: 1017-20 (2001)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%