BDBM199418 US9221831, 84

SMILES: CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45

InChI Key: InChIKey=WANLIISAKAJTRU-LZDVKRKESA-N

Data: 3 KI  2 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 5 hits for monomerid = 199418   

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))	BDBM199418 (US9221831, 84) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H40N2O5/c1-38-33-12-11-31(17-23(33)19-39-29(37)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(36)28-27(22)32(31,30(33)40-28)13-14-35(26)18-21-7-8-21/h2-6,9-10,21,23-24,26,30,36H,7-8,11-19,34H2,1H3/t23-,24+,26-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. 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 (recomb...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM199418 (US9221831, 84) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H40N2O5/c1-38-33-12-11-31(17-23(33)19-39-29(37)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(36)28-27(22)32(31,30(33)40-28)13-14-35(26)18-21-7-8-21/h2-6,9-10,21,23-24,26,30,36H,7-8,11-19,34H2,1H3/t23-,24+,26-,30-,31-,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	0.190	-14.4	n/a	n/a	n/a	n/a	n/a	7.4	50
Purdue Pharma, L.P. US Patent					Assay Description Radioligand dose-displacement binding assays for t-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM199418 (US9221831, 84) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H40N2O5/c1-38-33-12-11-31(17-23(33)19-39-29(37)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(36)28-27(22)32(31,30(33)40-28)13-14-35(26)18-21-7-8-21/h2-6,9-10,21,23-24,26,30,36H,7-8,11-19,34H2,1H3/t23-,24+,26-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	1.23	-12.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displacement assays used 0.3 nM [3H]-Naltrindole (Perkin...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199418 (US9221831, 84) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H40N2O5/c1-38-33-12-11-31(17-23(33)19-39-29(37)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(36)28-27(22)32(31,30(33)40-28)13-14-35(26)18-21-7-8-21/h2-6,9-10,21,23-24,26,30,36H,7-8,11-19,34H2,1H3/t23-,24+,26-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.04	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM199418 (US9221831, 84) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H40N2O5/c1-38-33-12-11-31(17-23(33)19-39-29(37)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(36)28-27(22)32(31,30(33)40-28)13-14-35(26)18-21-7-8-21/h2-6,9-10,21,23-24,26,30,36H,7-8,11-19,34H2,1H3/t23-,24+,26-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.820	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. Delta opioid receptor membrane solution was prepared by sequentially adding fin...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair