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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'CNR1' and Ligand = 'BDBM50000092'   
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
CNR1


(Hirudo medicinalis)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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KEGG
MMDB
PC cid
PC sid
PDB
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Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
More data for this
Ligand-Target Pair
CNR1


(theromyzon Tessulatum)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
More data for this
Ligand-Target Pair