BDBM179909 US9133125, Table D, buprenorphine

SMILES CO[C@@H]1C([C@H]2CC[C@@]11Oc3c4c(C[C@@H]5C2[C@]14CCN5CC1CC1)ccc3O)[C@](C)(O)C(C)(C)C

InChI Key InChIKey=WBANCDNNDMMESV-SKZQKDLJSA-N

Data  1 KI  1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 179909   

TargetMu-type opioid receptor(Homo sapiens (Human))
ALKERMES PHARMA IRELAND LIMITED

US Patent
LigandPNGBDBM179909(US9133125, Table D, buprenorphine)
Show SMILES CO[C@@H]1C([C@H]2CC[C@@]11Oc3c4c(C[C@@H]5C2[C@]14CCN5CC1CC1)ccc3O)[C@](C)(O)C(C)(C)C
Show InChI InChI=1S/C29H41NO4/c1-26(2,3)27(4,32)23-18-10-11-29(25(23)33-5)28-12-13-30(15-16-6-7-16)19(22(18)28)14-17-8-9-20(31)24(34-29)21(17)28/h8-9,16,18-19,22-23,25,31-32H,6-7,10-15H2,1-5H3/t18-,19+,22?,23?,25+,27-,28+,29+/m0/s1
Affinity DataKi:  0.410nM ΔG°:  -12.8kcal/mole IC50: 0.450nMpH: 7.5 T: 2°CAssay Description:The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
ALKERMES PHARMA IRELAND LIMITED

US Patent
LigandPNGBDBM179909(US9133125, Table D, buprenorphine)
Show SMILES CO[C@@H]1C([C@H]2CC[C@@]11Oc3c4c(C[C@@H]5C2[C@]14CCN5CC1CC1)ccc3O)[C@](C)(O)C(C)(C)C
Show InChI InChI=1S/C29H41NO4/c1-26(2,3)27(4,32)23-18-10-11-29(25(23)33-5)28-12-13-30(15-16-6-7-16)19(22(18)28)14-17-8-9-20(31)24(34-29)21(17)28/h8-9,16,18-19,22-23,25,31-32H,6-7,10-15H2,1-5H3/t18-,19+,22?,23?,25+,27-,28+,29+/m0/s1
Affinity DataEC50:  0.300nMpH: 7.4Assay Description:The EC50 and Imax for μ opioid receptors was determined using a [I35S]GTPγS binding assay. This assay measures the functional properties of a compo...More data for this Ligand-Target Pair