null

SMILES: CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1

InChI Key: InChIKey=CNIZVMPOGMXZSM-MVQHYNIRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 172427   

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))	BDBM172427 (US9090618, ZA50 | US9598411, Ref. No. ZA50) Show SMILES CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:30:29:21.22.28:24.26.25| Show InChI InChI=1S/C33H51N5O2S/c1-41(39,40)34-14-16-36-15-13-26(23-36)20-33-35-31-11-4-5-12-32(31)38(33)30-21-27-9-6-10-28(22-30)37(27)29-18-24-7-2-3-8-25(17-24)19-29/h4-5,11-12,24-30,34H,2-3,6-10,13-23H2,1H3/t24-,25+,26-,27-,28+,29-,30+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.14	-11.2	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 ug membrane protein in a fin...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM172427 (US9090618, ZA50 | US9598411, Ref. No. ZA50) Show SMILES CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:30:29:21.22.28:24.26.25| Show InChI InChI=1S/C33H51N5O2S/c1-41(39,40)34-14-16-36-15-13-26(23-36)20-33-35-31-11-4-5-12-32(31)38(33)30-21-27-9-6-10-28(22-30)37(27)29-18-24-7-2-3-8-25(17-24)19-29/h4-5,11-12,24-30,34H,2-3,6-10,13-23H2,1H3/t24-,25+,26-,27-,28+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM172427 (US9090618, ZA50 | US9598411, Ref. No. ZA50) Show SMILES CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:30:29:21.22.28:24.26.25| Show InChI InChI=1S/C33H51N5O2S/c1-41(39,40)34-14-16-36-15-13-26(23-36)20-33-35-31-11-4-5-12-32(31)38(33)30-21-27-9-6-10-28(22-30)37(27)29-18-24-7-2-3-8-25(17-24)19-29/h4-5,11-12,24-30,34H,2-3,6-10,13-23H2,1H3/t24-,25+,26-,27-,28+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	58.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description μ-Opioid Receptor Binding Assay Procedures: Radioligand binding assays were conducted using freshly thawed membranes expressing human μ-rec...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM172427 (US9090618, ZA50 | US9598411, Ref. No. ZA50) Show SMILES CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:30:29:21.22.28:24.26.25| Show InChI InChI=1S/C33H51N5O2S/c1-41(39,40)34-14-16-36-15-13-26(23-36)20-33-35-31-11-4-5-12-32(31)38(33)30-21-27-9-6-10-28(22-30)37(27)29-18-24-7-2-3-8-25(17-24)19-29/h4-5,11-12,24-30,34H,2-3,6-10,13-23H2,1H3/t24-,25+,26-,27-,28+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	58.3	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 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 μg membrane protein (recombinant kappa opioid re...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM172427 (US9090618, ZA50 | US9598411, Ref. No. ZA50) Show SMILES CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:30:29:21.22.28:24.26.25| Show InChI InChI=1S/C33H51N5O2S/c1-41(39,40)34-14-16-36-15-13-26(23-36)20-33-35-31-11-4-5-12-32(31)38(33)30-21-27-9-6-10-28(22-30)37(27)29-18-24-7-2-3-8-25(17-24)19-29/h4-5,11-12,24-30,34H,2-3,6-10,13-23H2,1H3/t24-,25+,26-,27-,28+,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.88E+3	-7.81	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 mu-receptors (Perkin Elmer, Shelton, Conn.). Radioligand do...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM172427 (US9090618, ZA50 | US9598411, Ref. No. ZA50) Show SMILES CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:30:29:21.22.28:24.26.25| Show InChI InChI=1S/C33H51N5O2S/c1-41(39,40)34-14-16-36-15-13-26(23-36)20-33-35-31-11-4-5-12-32(31)38(33)30-21-27-9-6-10-28(22-30)37(27)29-18-24-7-2-3-8-25(17-24)19-29/h4-5,11-12,24-30,34H,2-3,6-10,13-23H2,1H3/t24-,25+,26-,27-,28+,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description κ-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned ...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM172427 (US9090618, ZA50 | US9598411, Ref. No. ZA50) Show SMILES CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:30:29:21.22.28:24.26.25| Show InChI InChI=1S/C33H51N5O2S/c1-41(39,40)34-14-16-36-15-13-26(23-36)20-33-35-31-11-4-5-12-32(31)38(33)30-21-27-9-6-10-28(22-30)37(27)29-18-24-7-2-3-8-25(17-24)19-29/h4-5,11-12,24-30,34H,2-3,6-10,13-23H2,1H3/t24-,25+,26-,27-,28+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Recepto...				US Patent US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM172427 (US9090618, ZA50 | US9598411, Ref. No. ZA50) Show SMILES CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:30:29:21.22.28:24.26.25| Show InChI InChI=1S/C33H51N5O2S/c1-41(39,40)34-14-16-36-15-13-26(23-36)20-33-35-31-11-4-5-12-32(31)38(33)30-21-27-9-6-10-28(22-30)37(27)29-18-24-7-2-3-8-25(17-24)19-29/h4-5,11-12,24-30,34H,2-3,6-10,13-23H2,1H3/t24-,25+,26-,27-,28+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>2.00E+4	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 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 μg membrane protein (recombinant delta opioid ...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
					More data for this Ligand-Target Pair