BDBM172413 US9090618, ZA35::US9598411, Ref. No. ZA35

SMILES: OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1

InChI Key: InChIKey=CWSNFLSYLQDZGL-KKDLYHQTSA-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 = 172413   

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))	BDBM172413 (US9090618, ZA35 | US9598411, Ref. No. ZA35) Show SMILES OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:20:19:11.12.18:14.16.15| Show InChI InChI=1S/C25H35N3O/c29-16-25-26-23-9-1-2-10-24(23)28(25)22-14-19-7-4-8-20(15-22)27(19)21-12-17-5-3-6-18(11-17)13-21/h1-2,9-10,17-22,29H,3-8,11-16H2/t17-,18+,19-,20+,21+,22?	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.68	-11.7	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))	BDBM172413 (US9090618, ZA35 | US9598411, Ref. No. ZA35) Show SMILES OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:20:19:11.12.18:14.16.15| Show InChI InChI=1S/C25H35N3O/c29-16-25-26-23-9-1-2-10-24(23)28(25)22-14-19-7-4-8-20(15-22)27(19)21-12-17-5-3-6-18(11-17)13-21/h1-2,9-10,17-22,29H,3-8,11-16H2/t17-,18+,19-,20+,21+,22?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.68	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))	BDBM172413 (US9090618, ZA35 | US9598411, Ref. No. ZA35) Show SMILES OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:20:19:11.12.18:14.16.15| Show InChI InChI=1S/C25H35N3O/c29-16-25-26-23-9-1-2-10-24(23)28(25)22-14-19-7-4-8-20(15-22)27(19)21-12-17-5-3-6-18(11-17)13-21/h1-2,9-10,17-22,29H,3-8,11-16H2/t17-,18+,19-,20+,21+,22?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	246	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))	BDBM172413 (US9090618, ZA35 | US9598411, Ref. No. ZA35) Show SMILES OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:20:19:11.12.18:14.16.15| Show InChI InChI=1S/C25H35N3O/c29-16-25-26-23-9-1-2-10-24(23)28(25)22-14-19-7-4-8-20(15-22)27(19)21-12-17-5-3-6-18(11-17)13-21/h1-2,9-10,17-22,29H,3-8,11-16H2/t17-,18+,19-,20+,21+,22?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	246	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))	BDBM172413 (US9090618, ZA35 | US9598411, Ref. No. ZA35) Show SMILES OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:20:19:11.12.18:14.16.15| Show InChI InChI=1S/C25H35N3O/c29-16-25-26-23-9-1-2-10-24(23)28(25)22-14-19-7-4-8-20(15-22)27(19)21-12-17-5-3-6-18(11-17)13-21/h1-2,9-10,17-22,29H,3-8,11-16H2/t17-,18+,19-,20+,21+,22?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.58E+3	-7.91	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 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))	BDBM172413 (US9090618, ZA35 | US9598411, Ref. No. ZA35) Show SMILES OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:20:19:11.12.18:14.16.15| Show InChI InChI=1S/C25H35N3O/c29-16-25-26-23-9-1-2-10-24(23)28(25)22-14-19-7-4-8-20(15-22)27(19)21-12-17-5-3-6-18(11-17)13-21/h1-2,9-10,17-22,29H,3-8,11-16H2/t17-,18+,19-,20+,21+,22?	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.58E+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))	BDBM172413 (US9090618, ZA35 | US9598411, Ref. No. ZA35) Show SMILES OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:20:19:11.12.18:14.16.15| Show InChI InChI=1S/C25H35N3O/c29-16-25-26-23-9-1-2-10-24(23)28(25)22-14-19-7-4-8-20(15-22)27(19)21-12-17-5-3-6-18(11-17)13-21/h1-2,9-10,17-22,29H,3-8,11-16H2/t17-,18+,19-,20+,21+,22?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM172413 (US9090618, ZA35 | US9598411, Ref. No. ZA35) Show SMILES OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:20:19:11.12.18:14.16.15| Show InChI InChI=1S/C25H35N3O/c29-16-25-26-23-9-1-2-10-24(23)28(25)22-14-19-7-4-8-20(15-22)27(19)21-12-17-5-3-6-18(11-17)13-21/h1-2,9-10,17-22,29H,3-8,11-16H2/t17-,18+,19-,20+,21+,22?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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