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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM85333'   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM85333
PNG
(DYNORPHIN(1-11)-OH)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C64H105N21O13/c1-6-37(4)51(59(95)81-45(21-14-30-75-64(71)72)60(96)85-31-15-22-49(85)58(94)82-46(61(97)98)18-10-11-27-65)84-55(91)44(20-13-29-74-63(69)70)79-54(90)43(19-12-28-73-62(67)68)80-56(92)47(32-36(2)3)83-57(93)48(34-39-16-8-7-9-17-39)78-50(87)35-76-52(88)38(5)77-53(89)42(66)33-40-23-25-41(86)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,86H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H,76,88)(H,77,89)(H,78,87)(H,79,90)(H,80,92)(H,81,95)(H,82,94)(H,83,93)(H,84,91)(H,97,98)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.100n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM85333
PNG
(DYNORPHIN(1-11)-OH)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C64H105N21O13/c1-6-37(4)51(59(95)81-45(21-14-30-75-64(71)72)60(96)85-31-15-22-49(85)58(94)82-46(61(97)98)18-10-11-27-65)84-55(91)44(20-13-29-74-63(69)70)79-54(90)43(19-12-28-73-62(67)68)80-56(92)47(32-36(2)3)83-57(93)48(34-39-16-8-7-9-17-39)78-50(87)35-76-52(88)38(5)77-53(89)42(66)33-40-23-25-41(86)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,86H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H,76,88)(H,77,89)(H,78,87)(H,79,90)(H,80,92)(H,81,95)(H,82,94)(H,83,93)(H,84,91)(H,97,98)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.200n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair