null

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 179909   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179909 (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 |r| 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	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.410	-12.8	0.450	n/a	n/a	n/a	n/a	7.5	25
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...				US Patent US9133125 (2015) BindingDB Entry DOI: 10.7270/Q2736PPB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179909 (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 |r| 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	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.300	n/a	n/a	7.4	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay 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...				US Patent US9133125 (2015) BindingDB Entry DOI: 10.7270/Q2736PPB
					More data for this Ligand-Target Pair