BDBM172388 US9090618, H36b(i)::US9598411, Ref. No. H36b(i)

SMILES: NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2

InChI Key: InChIKey=WGMLKJXEFMLZMR-FDYHHLSLSA-N

Data: 8 KI

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 8 hits for monomerid = 172388   

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))	BDBM172388 (US9090618, H36b(i) | US9598411, Ref. No. H36b(i)) Show SMILES NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22| Show InChI InChI=1S/C31H45N5O/c32-30(37)20-34-14-6-13-29(34)31-33-27-11-3-4-12-28(27)36(31)26-18-23-9-5-10-24(19-26)35(23)25-16-21-7-1-2-8-22(15-21)17-25/h3-4,11-12,21-26,29H,1-2,5-10,13-20H2,(H2,32,37)/t21-,22+,23-,24+,25-,26+,29-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	19	-10.5	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))	BDBM172388 (US9090618, H36b(i) | US9598411, Ref. No. H36b(i)) Show SMILES NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22| Show InChI InChI=1S/C31H45N5O/c32-30(37)20-34-14-6-13-29(34)31-33-27-11-3-4-12-28(27)36(31)26-18-23-9-5-10-24(19-26)35(23)25-16-21-7-1-2-8-22(15-21)17-25/h3-4,11-12,21-26,29H,1-2,5-10,13-20H2,(H2,32,37)/t21-,22+,23-,24+,25-,26+,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	19	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))	BDBM172388 (US9090618, H36b(i) | US9598411, Ref. No. H36b(i)) Show SMILES NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22| Show InChI InChI=1S/C31H45N5O/c32-30(37)20-34-14-6-13-29(34)31-33-27-11-3-4-12-28(27)36(31)26-18-23-9-5-10-24(19-26)35(23)25-16-21-7-1-2-8-22(15-21)17-25/h3-4,11-12,21-26,29H,1-2,5-10,13-20H2,(H2,32,37)/t21-,22+,23-,24+,25-,26+,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	123	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))	BDBM172388 (US9090618, H36b(i) | US9598411, Ref. No. H36b(i)) Show SMILES NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22| Show InChI InChI=1S/C31H45N5O/c32-30(37)20-34-14-6-13-29(34)31-33-27-11-3-4-12-28(27)36(31)26-18-23-9-5-10-24(19-26)35(23)25-16-21-7-1-2-8-22(15-21)17-25/h3-4,11-12,21-26,29H,1-2,5-10,13-20H2,(H2,32,37)/t21-,22+,23-,24+,25-,26+,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	123	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))	BDBM172388 (US9090618, H36b(i) | US9598411, Ref. No. H36b(i)) Show SMILES NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22| Show InChI InChI=1S/C31H45N5O/c32-30(37)20-34-14-6-13-29(34)31-33-27-11-3-4-12-28(27)36(31)26-18-23-9-5-10-24(19-26)35(23)25-16-21-7-1-2-8-22(15-21)17-25/h3-4,11-12,21-26,29H,1-2,5-10,13-20H2,(H2,32,37)/t21-,22+,23-,24+,25-,26+,29-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.67E+3	-7.88	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))	BDBM172388 (US9090618, H36b(i) | US9598411, Ref. No. H36b(i)) Show SMILES NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22| Show InChI InChI=1S/C31H45N5O/c32-30(37)20-34-14-6-13-29(34)31-33-27-11-3-4-12-28(27)36(31)26-18-23-9-5-10-24(19-26)35(23)25-16-21-7-1-2-8-22(15-21)17-25/h3-4,11-12,21-26,29H,1-2,5-10,13-20H2,(H2,32,37)/t21-,22+,23-,24+,25-,26+,29-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.67E+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))	BDBM172388 (US9090618, H36b(i) | US9598411, Ref. No. H36b(i)) Show SMILES NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22| Show InChI InChI=1S/C31H45N5O/c32-30(37)20-34-14-6-13-29(34)31-33-27-11-3-4-12-28(27)36(31)26-18-23-9-5-10-24(19-26)35(23)25-16-21-7-1-2-8-22(15-21)17-25/h3-4,11-12,21-26,29H,1-2,5-10,13-20H2,(H2,32,37)/t21-,22+,23-,24+,25-,26+,29-/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))	BDBM172388 (US9090618, H36b(i) | US9598411, Ref. No. H36b(i)) Show SMILES NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22| Show InChI InChI=1S/C31H45N5O/c32-30(37)20-34-14-6-13-29(34)31-33-27-11-3-4-12-28(27)36(31)26-18-23-9-5-10-24(19-26)35(23)25-16-21-7-1-2-8-22(15-21)17-25/h3-4,11-12,21-26,29H,1-2,5-10,13-20H2,(H2,32,37)/t21-,22+,23-,24+,25-,26+,29-/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