BDBM220365 US9290488, B21a

SMILES: CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O

InChI Key: InChIKey=CRCHFTNTZRGKSN-GWVJWZHSSA-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 = 220365   

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))	BDBM220365 (US9290488, B21a) Show SMILES CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O |r,THB:9:11:18.19.17:13.15.14| Show InChI InChI=1S/C31H40N4O3/c1-31-15-18-9-20(31)11-21(31)12-24(10-18)34-22-5-4-6-23(34)14-25(13-22)35-27-8-3-2-7-26(27)32-28(29(35)36)33-16-19(17-33)30(37)38/h2-3,7-8,18-25H,4-6,9-17H2,1H3,(H,37,38)/t18-,20+,21+,22-,23+,24-,25+,31?/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.22	-11.0	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM220365 (US9290488, B21a) Show SMILES CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O |r,THB:9:11:18.19.17:13.15.14| Show InChI InChI=1S/C31H40N4O3/c1-31-15-18-9-20(31)11-21(31)12-24(10-18)34-22-5-4-6-23(34)14-25(13-22)35-27-8-3-2-7-26(27)32-28(29(35)36)33-16-19(17-33)30(37)38/h2-3,7-8,18-25H,4-6,9-17H2,1H3,(H,37,38)/t18-,20+,21+,22-,23+,24-,25+,31?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	54.1	-9.91	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))	BDBM220365 (US9290488, B21a) Show SMILES CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O |r,THB:9:11:18.19.17:13.15.14| Show InChI InChI=1S/C31H40N4O3/c1-31-15-18-9-20(31)11-21(31)12-24(10-18)34-22-5-4-6-23(34)14-25(13-22)35-27-8-3-2-7-26(27)32-28(29(35)36)33-16-19(17-33)30(37)38/h2-3,7-8,18-25H,4-6,9-17H2,1H3,(H,37,38)/t18-,20+,21+,22-,23+,24-,25+,31?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	111	-9.48	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))	BDBM220365 (US9290488, B21a) Show SMILES CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O |r,THB:9:11:18.19.17:13.15.14| Show InChI InChI=1S/C31H40N4O3/c1-31-15-18-9-20(31)11-21(31)12-24(10-18)34-22-5-4-6-23(34)14-25(13-22)35-27-8-3-2-7-26(27)32-28(29(35)36)33-16-19(17-33)30(37)38/h2-3,7-8,18-25H,4-6,9-17H2,1H3,(H,37,38)/t18-,20+,21+,22-,23+,24-,25+,31?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.52E+3	-7.93	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
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM220365 (US9290488, B21a) Show SMILES CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O |r,THB:9:11:18.19.17:13.15.14| Show InChI InChI=1S/C31H40N4O3/c1-31-15-18-9-20(31)11-21(31)12-24(10-18)34-22-5-4-6-23(34)14-25(13-22)35-27-8-3-2-7-26(27)32-28(29(35)36)33-16-19(17-33)30(37)38/h2-3,7-8,18-25H,4-6,9-17H2,1H3,(H,37,38)/t18-,20+,21+,22-,23+,24-,25+,31?/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.80	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM220365 (US9290488, B21a) Show SMILES CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O |r,THB:9:11:18.19.17:13.15.14| Show InChI InChI=1S/C31H40N4O3/c1-31-15-18-9-20(31)11-21(31)12-24(10-18)34-22-5-4-6-23(34)14-25(13-22)35-27-8-3-2-7-26(27)32-28(29(35)36)33-16-19(17-33)30(37)38/h2-3,7-8,18-25H,4-6,9-17H2,1H3,(H,37,38)/t18-,20+,21+,22-,23+,24-,25+,31?/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	64	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description [35S]GTPγS functional assays were conducted using freshly thawed membranes expressing human μ-receptors. Assay reactions were prepared by se...				US Patent US9290488 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SCW
					More data for this Ligand-Target Pair