BDBM199346 US9221831, 11

SMILES: CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(cc1)-n1ccnc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45

InChI Key: InChIKey=CMCMYWCDPYASBI-UDCNLKFVSA-N

Data: 3 KI  1 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 4 hits for monomerid = 199346   

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))	BDBM199346 (US9221831, 11) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(cc1)-n1ccnc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H37N3O4/c1-38-33-11-10-31(17-23(33)19-39-25-7-5-24(6-8-25)36-15-13-34-20-36)27-16-22-4-9-26(37)29-28(22)32(31,30(33)40-29)12-14-35(27)18-21-2-3-21/h4-9,13,15,20-21,23,27,30,37H,2-3,10-12,14,16-19H2,1H3/t23-,27-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	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))	BDBM199346 (US9221831, 11) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(cc1)-n1ccnc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H37N3O4/c1-38-33-11-10-31(17-23(33)19-39-25-7-5-24(6-8-25)36-15-13-34-20-36)27-16-22-4-9-26(37)29-28(22)32(31,30(33)40-29)12-14-35(27)18-21-2-3-21/h4-9,13,15,20-21,23,27,30,37H,2-3,10-12,14,16-19H2,1H3/t23-,27-,30-,31-,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.930	-13.3	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))	BDBM199346 (US9221831, 11) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(cc1)-n1ccnc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H37N3O4/c1-38-33-11-10-31(17-23(33)19-39-25-7-5-24(6-8-25)36-15-13-34-20-36)27-16-22-4-9-26(37)29-28(22)32(31,30(33)40-29)12-14-35(27)18-21-2-3-21/h4-9,13,15,20-21,23,27,30,37H,2-3,10-12,14,16-19H2,1H3/t23-,27-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.38	-11.8	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM199346 (US9221831, 11) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(cc1)-n1ccnc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3| Show InChI InChI=1S/C33H37N3O4/c1-38-33-11-10-31(17-23(33)19-39-25-7-5-24(6-8-25)36-15-13-34-20-36)27-16-22-4-9-26(37)29-28(22)32(31,30(33)40-29)12-14-35(27)18-21-2-3-21/h4-9,13,15,20-21,23,27,30,37H,2-3,10-12,14,16-19H2,1H3/t23-,27-,30-,31-,32+,33-/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	6.06E+3	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