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SMILES: COC1(C2CCCC1CN(C2)C1CC2(CCC2)C1)c1cccc(c1)C(N)=O

InChI Key: InChIKey=RHMSKFOWKACXNL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 438968   

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))	BDBM438968 (3-((1R,5S,9r)-9-methoxy-3-(spiro[3.3]heptan-2-yl)-...) Show SMILES COC1(C2CCCC1CN(C2)C1CC2(CCC2)C1)c1cccc(c1)C(N)=O |TLB:11:9:2:5.4.6,18:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C23H32N2O2/c1-27-23(17-6-2-5-16(11-17)21(24)26)18-7-3-8-19(23)15-25(14-18)20-12-22(13-20)9-4-10-22/h2,5-6,11,18-20H,3-4,7-10,12-15H2,1H3,(H2,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM438968 (3-((1R,5S,9r)-9-methoxy-3-(spiro[3.3]heptan-2-yl)-...) Show SMILES COC1(C2CCCC1CN(C2)C1CC2(CCC2)C1)c1cccc(c1)C(N)=O |TLB:11:9:2:5.4.6,18:2:5.4.6:8.10.9,THB:1:2:5.4.6:8.10.9| Show InChI InChI=1S/C23H32N2O2/c1-27-23(17-6-2-5-16(11-17)21(24)26)18-7-3-8-19(23)15-25(14-18)20-12-22(13-20)9-4-10-22/h2,5-6,11,18-20H,3-4,7-10,12-15H2,1H3,(H2,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. US Patent					Assay Description Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 d...				US Patent US10604489 (2020)
					More data for this Ligand-Target Pair