null

SMILES: CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25

InChI Key: InChIKey=OWNPADNXDQCYAS-IHFGGWKQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 222959   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM222959 (US9315514, 3) Show SMILES CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25 |r,TLB:4:14:25.24:11.10| Show InChI InChI=1S/C29H39NO4/c1-25(2,3)26(4)20-14-27-9-10-29(20,33-16-32-26)24-28(27)11-12-30(15-17-5-6-17)21(27)13-18-7-8-19(31)23(34-24)22(18)28/h7-8,17,20-21,24,31H,5-6,9-16H2,1-4H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	-13.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM222959 (US9315514, 3) Show SMILES CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25 |r,TLB:4:14:25.24:11.10| Show InChI InChI=1S/C29H39NO4/c1-25(2,3)26(4)20-14-27-9-10-29(20,33-16-32-26)24-28(27)11-12-30(15-17-5-6-17)21(27)13-18-7-8-19(31)23(34-24)22(18)28/h7-8,17,20-21,24,31H,5-6,9-16H2,1-4H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.450	-13.8	n/a	n/a	n/a	n/a	n/a	7.4	50
Rhodes Technologies US Patent					Assay Description Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membr...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM222959 (US9315514, 3) Show SMILES CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25 |r,TLB:4:14:25.24:11.10| Show InChI InChI=1S/C29H39NO4/c1-25(2,3)26(4)20-14-27-9-10-29(20,33-16-32-26)24-28(27)11-12-30(15-17-5-6-17)21(27)13-18-7-8-19(31)23(34-24)22(18)28/h7-8,17,20-21,24,31H,5-6,9-16H2,1-4H3/t20-,21-,24-,26+,27-,28+,29-/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	22.7	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description Functional [35S]GTPγS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding f...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM222959 (US9315514, 3) Show SMILES CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25 |r,TLB:4:14:25.24:11.10| Show InChI InChI=1S/C29H39NO4/c1-25(2,3)26(4)20-14-27-9-10-29(20,33-16-32-26)24-28(27)11-12-30(15-17-5-6-17)21(27)13-18-7-8-19(31)23(34-24)22(18)28/h7-8,17,20-21,24,31H,5-6,9-16H2,1-4H3/t20-,21-,24-,26+,27-,28+,29-/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	0.860	n/a	n/a	7.4	25
Rhodes Technologies US Patent					Assay Description [35S]GTPγS functional assays were conducted using freshly thawed μ-receptor membranes prepared in-house from a cell line expressing recombin...				US Patent US9315514 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DWC
					More data for this Ligand-Target Pair