BDBM50347164 CHEMBL1797518

SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@]5(O[C@@H]6N7[C@H]5O[C@]5(CC[C@H]8[C@H]9Cc%10ccc(O)c%11O[C@@H]5[C@]8(CCN9CC5CC5)c%10%11)[C@@H]7O[C@]65CC[C@H]6[C@H]7Cc8ccc(O)c9O[C@@H]5[C@]6(CCN7CC5CC5)c89)[C@@H]5Oc1c2[C@]45CCN3CC1CC1

InChI Key InChIKey=AKRUZRBHEYKLPW-PTFQVOMSSA-N

Data  2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50347164   

TargetMu-type opioid receptor(GUINEA PIG)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50347164(CHEMBL1797518)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@]5(O[C@@H]6N7[C@H]5O[C@]5(CC[C@H]8[C@H]9Cc%10ccc(O)c%11O[C@@H]5[C@]8(CCN9CC5CC5)c%10%11)[C@@H]7O[C@]65CC[C@H]6[C@H]7Cc8ccc(O)c9O[C@@H]5[C@]6(CCN7CC5CC5)c89)[C@@H]5Oc1c2[C@]45CCN3CC1CC1
Show InChI InChI=1S/C63H72N4O9/c68-43-10-7-34-25-40-37-13-16-61(52-58(37,46(34)49(43)71-52)19-22-64(40)28-31-1-2-31)55-67-56(74-61)62(17-14-38-41-26-35-8-11-44(69)50-47(35)59(38,53(62)72-50)20-23-65(41)29-32-3-4-32)76-57(67)63(75-55)18-15-39-42-27-36-9-12-45(70)51-48(36)60(39,54(63)73-51)21-24-66(42)30-33-5-6-33/h7-12,31-33,37-42,52-57,68-70H,1-6,13-30H2/t37-,38-,39-,40+,41+,42+,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1
Affinity DataKi:  22.3nMAssay Description:Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig forebrain homogenatesMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50347164(CHEMBL1797518)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@]5(O[C@@H]6N7[C@H]5O[C@]5(CC[C@H]8[C@H]9Cc%10ccc(O)c%11O[C@@H]5[C@]8(CCN9CC5CC5)c%10%11)[C@@H]7O[C@]65CC[C@H]6[C@H]7Cc8ccc(O)c9O[C@@H]5[C@]6(CCN7CC5CC5)c89)[C@@H]5Oc1c2[C@]45CCN3CC1CC1
Show InChI InChI=1S/C63H72N4O9/c68-43-10-7-34-25-40-37-13-16-61(52-58(37,46(34)49(43)71-52)19-22-64(40)28-31-1-2-31)55-67-56(74-61)62(17-14-38-41-26-35-8-11-44(69)50-47(35)59(38,53(62)72-50)20-23-65(41)29-32-3-4-32)76-57(67)63(75-55)18-15-39-42-27-36-9-12-45(70)51-48(36)60(39,54(63)73-51)21-24-66(42)30-33-5-6-33/h7-12,31-33,37-42,52-57,68-70H,1-6,13-30H2/t37-,38-,39-,40+,41+,42+,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1
Affinity DataKi:  43.2nMAssay Description:Displacement of [3H]-U69593 from kappa opioid receptor in guinea pig cerebellum homogenatesMore data for this Ligand-Target Pair