BDBM397466 US9988392, Compound 10

SMILES: COC12CC[C@@]3(C[C@]1(C)COCc1ccoc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45

InChI Key: InChIKey=DCPPKYZRLHKQIX-KWMNZRKUSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 397466   

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))	BDBM397466 (US9988392, Compound 10) Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccoc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:9:7:27.26:4.3,8:7:27.26:4.3| Show InChI InChI=1S/C30H37NO5/c1-27(18-35-16-20-7-12-34-15-20)17-28-8-9-30(27,33-2)26-29(28)10-11-31(14-19-3-4-19)23(28)13-21-5-6-22(32)25(36-26)24(21)29/h5-7,12,15,19,23,26,32H,3-4,8-11,13-14,16-18H2,1-2H3/t23-,26-,27-,28-,29+,30?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description μ-Opioid:Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.),...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q28K7CF0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM397466 (US9988392, Compound 10) Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccoc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:9:7:27.26:4.3,8:7:27.26:4.3| Show InChI InChI=1S/C30H37NO5/c1-27(18-35-16-20-7-12-34-15-20)17-28-8-9-30(27,33-2)26-29(28)10-11-31(14-19-3-4-19)23(28)13-21-5-6-22(32)25(36-26)24(21)29/h5-7,12,15,19,23,26,32H,3-4,8-11,13-14,16-18H2,1-2H3/t23-,26-,27-,28-,29+,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0370	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description κ-Opioid: Receptor Binding Assay Procedures: Membranes from HEK-293, CHO or U-2 OS cells expressing the recombinant human kappa opioid receptor ...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q28K7CF0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM397466 (US9988392, Compound 10) Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccoc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:9:7:27.26:4.3,8:7:27.26:4.3| Show InChI InChI=1S/C30H37NO5/c1-27(18-35-16-20-7-12-34-15-20)17-28-8-9-30(27,33-2)26-29(28)10-11-31(14-19-3-4-19)23(28)13-21-5-6-22(32)25(36-26)24(21)29/h5-7,12,15,19,23,26,32H,3-4,8-11,13-14,16-18H2,1-2H3/t23-,26-,27-,28-,29+,30?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.130	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals					Assay Description μ-Opioid:Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.),...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q28K7CF0
					More data for this Ligand-Target Pair