BDBM220371 US9290488, E53a(i)

SMILES: CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@@H]3C(O)=O)c1=O)CC2

InChI Key: InChIKey=OPNHKXQPNQNQOK-DUWFNVGLSA-N

Data: 4 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 6 hits for monomerid = 220371   

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
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220371 (US9290488, E53a(i)) Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@@H]3C(O)=O)c1=O)CC2 |r,THB:8:9:16.17.15:11.13.12| Show InChI InChI=1S/C31H42N4O3/c1-31(2)20-11-10-19(24(31)16-20)12-14-33-21-6-5-7-22(33)18-23(17-21)35-26-9-4-3-8-25(26)32-28(29(35)36)34-15-13-27(34)30(37)38/h3-4,8-9,19-24,27H,5-7,10-18H2,1-2H3,(H,37,38)/t19-,20-,21-,22+,23+,24-,27+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	80	-9.67	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM220371 (US9290488, E53a(i)) Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@@H]3C(O)=O)c1=O)CC2 |r,THB:8:9:16.17.15:11.13.12| Show InChI InChI=1S/C31H42N4O3/c1-31(2)20-11-10-19(24(31)16-20)12-14-33-21-6-5-7-22(33)18-23(17-21)35-26-9-4-3-8-25(26)32-28(29(35)36)34-15-13-27(34)30(37)38/h3-4,8-9,19-24,27H,5-7,10-18H2,1-2H3,(H,37,38)/t19-,20-,21-,22+,23+,24-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	128	-9.40	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 μg membrane protein (recombinant kappa opioid rece...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM220371 (US9290488, E53a(i)) Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@@H]3C(O)=O)c1=O)CC2 |r,THB:8:9:16.17.15:11.13.12| Show InChI InChI=1S/C31H42N4O3/c1-31(2)20-11-10-19(24(31)16-20)12-14-33-21-6-5-7-22(33)18-23(17-21)35-26-9-4-3-8-25(26)32-28(29(35)36)34-15-13-27(34)30(37)38/h3-4,8-9,19-24,27H,5-7,10-18H2,1-2H3,(H,37,38)/t19-,20-,21-,22+,23+,24-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.77E+3	-7.84	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg membrane protein (recombinant delta opioid re...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM220371 (US9290488, E53a(i)) Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@@H]3C(O)=O)c1=O)CC2 |r,THB:8:9:16.17.15:11.13.12| Show InChI InChI=1S/C31H42N4O3/c1-31(2)20-11-10-19(24(31)16-20)12-14-33-21-6-5-7-22(33)18-23(17-21)35-26-9-4-3-8-25(26)32-28(29(35)36)34-15-13-27(34)30(37)38/h3-4,8-9,19-24,27H,5-7,10-18H2,1-2H3,(H,37,38)/t19-,20-,21-,22+,23+,24-,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.42E+3	-7.45	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays were conducted using freshly thawed membranes expressing human μ-receptors (Perkin Elmer, Shelton, Conn.). Radioligand ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM220371 (US9290488, E53a(i)) Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@@H]3C(O)=O)c1=O)CC2 |r,THB:8:9:16.17.15:11.13.12| Show InChI InChI=1S/C31H42N4O3/c1-31(2)20-11-10-19(24(31)16-20)12-14-33-21-6-5-7-22(33)18-23(17-21)35-26-9-4-3-8-25(26)32-28(29(35)36)34-15-13-27(34)30(37)38/h3-4,8-9,19-24,27H,5-7,10-18H2,1-2H3,(H,37,38)/t19-,20-,21-,22+,23+,24-,27+/m0/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	>2.00E+4	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Kappa opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 μg/μL kappa membrane protein (in-hous...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220371 (US9290488, E53a(i)) Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@@H]3C(O)=O)c1=O)CC2 |r,THB:8:9:16.17.15:11.13.12| Show InChI InChI=1S/C31H42N4O3/c1-31(2)20-11-10-19(24(31)16-20)12-14-33-21-6-5-7-22(33)18-23(17-21)35-26-9-4-3-8-25(26)32-28(29(35)36)34-15-13-27(34)30(37)38/h3-4,8-9,19-24,27H,5-7,10-18H2,1-2H3,(H,37,38)/t19-,20-,21-,22+,23+,24-,27+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	65.7	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description ORL-1 membrane solution was prepared by sequentially adding final concentrations of 0.066 μg/μL ORL-1 membrane protein, 10 μg/mL saponin, 3 ...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair